action_type stringclasses 13
values | problem_id stringlengths 36 36 | mp_id stringlengths 6 10 | action_prompt stringlengths 39 448 | input stringlengths 1.11k 8.33k | output stringlengths 595 61.6k |
|---|---|---|---|---|---|
SuperCellAction | fb3f54a2-be82-4bf7-bb58-c9dc8d1778b1 | mp-541574 | Create a supercell with the size 1*1*3. | data_image0
_chemical_formula_structural Ba4Y8Co4O20
_chemical_formula_sum "Ba4 Y8 Co4 O20"
_cell_length_a 5.770025
_cell_length_b 7.158529
_cell_length_c 12.39054
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... | data_image0
_chemical_formula_structural Ba4Y8Co4O20Ba4Y8Co4O20Ba4Y8Co4O20
_chemical_formula_sum "Ba12 Y24 Co12 O60"
_cell_length_a 5.770025
_cell_length_b 7.158529
_cell_length_c 37.17162
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_na... |
SuperCellAction | 4109424f-d207-4194-b51f-64463a774892 | mp-1336298 | Create a supercell with the size 1×2×2. | data_image0
_chemical_formula_structural Al8Hg20Se32
_chemical_formula_sum "Al8 Hg20 Se32"
_cell_length_a 8.404517
_cell_length_b 8.44335121
_cell_length_c 27.9220542
_cell_angle_alpha 97.16799001
_cell_angle_beta 90.48170215
_cell_angle_gamma 118.44816971
_space_group_na... | data_image0
_chemical_formula_structural Al8Hg20Se32Al8Hg20Se32Al8Hg20Se32Al8Hg20Se32
_chemical_formula_sum "Al32 Hg80 Se128"
_cell_length_a 8.404517
_cell_length_b 16.88670242
_cell_length_c 55.8441084
_cell_angle_alpha 97.16799001
_cell_angle_beta 90.48170215
_cell_angle_ga... |
SuperCellAction | 02029125-8df1-4669-b111-f62ef45590ec | mp-1103066 | Create a supercell with the size 1*4*1. | data_image0
_chemical_formula_structural Sm4Si4Pd4
_chemical_formula_sum "Sm4 Si4 Pd4"
_cell_length_a 4.326026
_cell_length_b 7.167704
_cell_length_c 7.673634
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gro... | data_image0
_chemical_formula_structural Sm4Si4Pd4Sm4Si4Pd4Sm4Si4Pd4Sm4Si4Pd4
_chemical_formula_sum "Sm16 Si16 Pd16"
_cell_length_a 4.326026
_cell_length_b 28.670816
_cell_length_c 7.673634
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_n... |
SuperCellAction | 5dc0f6f6-ce0b-493c-a365-78718e46d64a | mp-1205450 | Create a supercell with the size 2 by 4 by 1. | data_image0
_chemical_formula_structural Pu8Se12
_chemical_formula_sum "Pu8 Se12"
_cell_length_a 11.30759145
_cell_length_b 4.10033936
_cell_length_c 11.20312826
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_... | data_image0
_chemical_formula_structural Pu8Se12Pu8Se12Pu8Se12Pu8Se12Pu8Se12Pu8Se12Pu8Se12Pu8Se12
_chemical_formula_sum "Pu64 Se96"
_cell_length_a 22.6151829
_cell_length_b 16.40135744
_cell_length_c 11.20312826
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma ... |
SuperCellAction | 31c61840-47b0-4e87-bf92-32383bd60413 | mp-1197288 | Create a supercell with the size 3 by 1 by 1. | data_image0
_chemical_formula_structural Cs4Se12O36
_chemical_formula_sum "Cs4 Se12 O36"
_cell_length_a 9.705962
_cell_length_b 9.98203783
_cell_length_c 11.2997381
_cell_angle_alpha 106.6332928
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Cs4Se12O36Cs4Se12O36Cs4Se12O36
_chemical_formula_sum "Cs12 Se36 O108"
_cell_length_a 29.117886
_cell_length_b 9.98203783
_cell_length_c 11.2997381
_cell_angle_alpha 106.6332928
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_gr... |
SuperCellAction | b2b5251a-23e0-4718-97e8-c1833bf02b61 | mp-23977 | Create a supercell with the size 2*4*1. | data_image0
_chemical_formula_structural H4S28N4
_chemical_formula_sum "H4 S28 N4"
_cell_length_a 8.12547
_cell_length_b 8.50035
_cell_length_c 13.873829
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group_IT... | data_image0
_chemical_formula_structural H4S28N4H4S28N4H4S28N4H4S28N4H4S28N4H4S28N4H4S28N4H4S28N4
_chemical_formula_sum "H32 S224 N32"
_cell_length_a 16.25094
_cell_length_b 34.0014
_cell_length_c 13.873829
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.... |
SuperCellAction | f20e3473-7523-4913-aaa5-f794c62cae35 | mp-1204342 | Create a supercell with the size 1x2x3. | data_image0
_chemical_formula_structural Ca8B12H16Cl4O32
_chemical_formula_sum "Ca8 B12 H16 Cl4 O32"
_cell_length_a 7.22859361
_cell_length_b 7.93274174
_cell_length_c 12.556271389999997
_cell_angle_alpha 86.44647157
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_gro... | data_image0
_chemical_formula_structural Ca8B12H16Cl4O32Ca8B12H16Cl4O32Ca8B12H16Cl4O32Ca8B12H16Cl4O32Ca8B12H16Cl4O32Ca8B12H16Cl4O32
_chemical_formula_sum "Ca48 B72 H96 Cl24 O192"
_cell_length_a 7.22859361
_cell_length_b 15.86548348
_cell_length_c 37.66881416999999
_cell_angle_alpha ... |
SuperCellAction | c2adfca6-689d-4602-8474-9802312711a0 | mp-29082 | Create a supercell with the size 1X1X4. | data_image0
_chemical_formula_structural Ba10Cr2N10
_chemical_formula_sum "Ba10 Cr2 N10"
_cell_length_a 7.94728499
_cell_length_b 7.947287020000001
_cell_length_c 9.48464346
_cell_angle_alpha 76.21473882
_cell_angle_beta 76.21477560000001
_cell_angle_gamma 96.0779043599999... | data_image0
_chemical_formula_structural Ba10Cr2N10Ba10Cr2N10Ba10Cr2N10Ba10Cr2N10
_chemical_formula_sum "Ba40 Cr8 N40"
_cell_length_a 7.94728499
_cell_length_b 7.947287020000001
_cell_length_c 37.93857384
_cell_angle_alpha 76.21473882
_cell_angle_beta 76.21477560000001
_cell_... |
SuperCellAction | 6c3c3388-031f-4b07-aa44-c15d68a5c145 | mp-1522139 | Create a supercell with the size 1X3X1. | data_image0
_chemical_formula_structural Ca2HfZrO6
_chemical_formula_sum "Ca2 Hf1 Zr1 O6"
_cell_length_a 5.84477636
_cell_length_b 5.844776360000001
_cell_length_c 5.844776360000001
_cell_angle_alpha 60.00000000000001
_cell_angle_beta 60.00000000000001
_cell_angle_gamma 60... | data_image0
_chemical_formula_structural Ca2HfZrO6Ca2HfZrO6Ca2HfZrO6
_chemical_formula_sum "Ca6 Hf3 Zr3 O18"
_cell_length_a 5.84477636
_cell_length_b 17.534329080000003
_cell_length_c 5.844776360000001
_cell_angle_alpha 60.00000000000001
_cell_angle_beta 60.00000000000001
_ce... |
SuperCellAction | 1e3cb4e2-50dd-4b15-8ba3-a747bcbcbf50 | mp-776358 | Create a supercell with the size 1*3*1. | data_image0
_chemical_formula_structural Li8Mn4C8S2O32
_chemical_formula_sum "Li8 Mn4 C8 S2 O32"
_cell_length_a 9.68366697
_cell_length_b 9.49456407
_cell_length_c 9.36586872
_cell_angle_alpha 61.78178144999998
_cell_angle_beta 59.76256551999999
_cell_angle_gamma 58.455653... | data_image0
_chemical_formula_structural Li8Mn4C8S2O32Li8Mn4C8S2O32Li8Mn4C8S2O32
_chemical_formula_sum "Li24 Mn12 C24 S6 O96"
_cell_length_a 9.68366697
_cell_length_b 28.483692209999997
_cell_length_c 9.36586872
_cell_angle_alpha 61.78178144999998
_cell_angle_beta 59.76256551... |
SuperCellAction | 40e96ebd-0d3b-46de-928b-e00bbf21ddfb | mp-650023 | Create a supercell with the size 4X2X1. | data_image0
_chemical_formula_structural K4Pd2C8S8N8
_chemical_formula_sum "K4 Pd2 C8 S8 N8"
_cell_length_a 13.222705
_cell_length_b 4.364295
_cell_length_c 11.205164429999998
_cell_angle_alpha 81.84034383999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_na... | data_image0
_chemical_formula_structural K4Pd2C8S8N8K4Pd2C8S8N8K4Pd2C8S8N8K4Pd2C8S8N8K4Pd2C8S8N8K4Pd2C8S8N8K4Pd2C8S8N8K4Pd2C8S8N8
_chemical_formula_sum "K32 Pd16 C64 S64 N64"
_cell_length_a 52.89082
_cell_length_b 8.72859
_cell_length_c 11.205164429999998
_cell_angle_alpha 81.840... |
SuperCellAction | 3c3497c2-f57c-4e94-b8bf-63034f32092b | mp-1198968 | Create a supercell with the size 2*2*2. | data_image0
_chemical_formula_structural Be8P8Pb4O32
_chemical_formula_sum "Be8 P8 Pb4 O32"
_cell_length_a 9.12496
_cell_length_b 8.178792
_cell_length_c 8.49386858
_cell_angle_alpha 89.89024316000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Be8P8Pb4O32Be8P8Pb4O32Be8P8Pb4O32Be8P8Pb4O32Be8P8Pb4O32Be8P8Pb4O32Be8P8Pb4O32Be8P8Pb4O32
_chemical_formula_sum "Be64 P64 Pb32 O256"
_cell_length_a 18.24992
_cell_length_b 16.357584
_cell_length_c 16.98773716
_cell_angle_alpha 89.8902431600... |
SuperCellAction | bb888846-f68d-408b-82c6-9fdbdd288fd1 | mp-1111072 | Create a supercell with the size 2*1*1. | data_image0
_chemical_formula_structural Li3MnF6
_chemical_formula_sum "Li3 Mn1 F6"
_cell_length_a 5.489198
_cell_length_b 5.48919807
_cell_length_c 5.489197679999999
_cell_angle_alpha 59.99999793999999
_cell_angle_beta 59.99999808999998
_cell_angle_gamma 60.00000045
_spa... | data_image0
_chemical_formula_structural Li3MnF6Li3MnF6
_chemical_formula_sum "Li6 Mn2 F12"
_cell_length_a 10.978396
_cell_length_b 5.48919807
_cell_length_c 5.489197679999999
_cell_angle_alpha 59.99999793999999
_cell_angle_beta 59.99999808999998
_cell_angle_gamma 60.00000... |
SuperCellAction | fd0459c3-59dc-46b3-a7df-deb594c6f6bb | mp-1176871 | Create a supercell with the size 4x2x1. | data_image0
_chemical_formula_structural Li14V6P16O58
_chemical_formula_sum "Li14 V6 P16 O58"
_cell_length_a 9.85789844
_cell_length_b 9.8522116
_cell_length_c 13.92124646
_cell_angle_alpha 89.85441915999999
_cell_angle_beta 90.14356653
_cell_angle_gamma 59.94911286999999
... | data_image0
_chemical_formula_structural Li14V6P16O58Li14V6P16O58Li14V6P16O58Li14V6P16O58Li14V6P16O58Li14V6P16O58Li14V6P16O58Li14V6P16O58
_chemical_formula_sum "Li112 V48 P128 O464"
_cell_length_a 39.43159376
_cell_length_b 19.7044232
_cell_length_c 13.92124646
_cell_angle_alpha ... |
SuperCellAction | c44f16a3-9c47-4bce-8044-0fd70092a8fe | mp-759128 | Create a supercell with the size 3*1*1. | data_image0
_chemical_formula_structural Li6Sb4P6O24
_chemical_formula_sum "Li6 Sb4 P6 O24"
_cell_length_a 8.8375326
_cell_length_b 8.8375326
_cell_length_c 9.07987956
_cell_angle_alpha 63.49713761
_cell_angle_beta 63.49713761
_cell_angle_gamma 63.30265871999998
_space_gr... | data_image0
_chemical_formula_structural Li6Sb4P6O24Li6Sb4P6O24Li6Sb4P6O24
_chemical_formula_sum "Li18 Sb12 P18 O72"
_cell_length_a 26.512597799999998
_cell_length_b 8.8375326
_cell_length_c 9.07987956
_cell_angle_alpha 63.49713761
_cell_angle_beta 63.49713761
_cell_angle_gam... |
SuperCellAction | e47ce63c-8936-4d7d-9855-07392834975c | mp-559041 | Create a supercell with the size 2 by 2 by 2. | data_image0
_chemical_formula_structural Tl2Mo4Cl14O4
_chemical_formula_sum "Tl2 Mo4 Cl14 O4"
_cell_length_a 7.267019
_cell_length_b 9.62580344
_cell_length_c 10.28145424
_cell_angle_alpha 103.5128878
_cell_angle_beta 90.43926368
_cell_angle_gamma 109.13855377
_space_grou... | data_image0
_chemical_formula_structural Tl2Mo4Cl14O4Tl2Mo4Cl14O4Tl2Mo4Cl14O4Tl2Mo4Cl14O4Tl2Mo4Cl14O4Tl2Mo4Cl14O4Tl2Mo4Cl14O4Tl2Mo4Cl14O4
_chemical_formula_sum "Tl16 Mo32 Cl112 O32"
_cell_length_a 14.534038
_cell_length_b 19.25160688
_cell_length_c 20.56290848
_cell_angle_alpha 1... |
SuperCellAction | 3ae75a7b-e477-42c2-b4e6-de1dd6892524 | mp-18245 | Create a supercell with the size 4×2×1. | data_image0
_chemical_formula_structural Na4Co4P4O16
_chemical_formula_sum "Na4 Co4 P4 O16"
_cell_length_a 5.079759
_cell_length_b 6.870334
_cell_length_c 8.975021
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... | data_image0
_chemical_formula_structural Na4Co4P4O16Na4Co4P4O16Na4Co4P4O16Na4Co4P4O16Na4Co4P4O16Na4Co4P4O16Na4Co4P4O16Na4Co4P4O16
_chemical_formula_sum "Na32 Co32 P32 O128"
_cell_length_a 20.319036
_cell_length_b 13.740668
_cell_length_c 8.975021
_cell_angle_alpha 90.0
_cell_angl... |
SuperCellAction | d446f720-5e21-48bb-87d8-4106f0dbe8df | mp-1207451 | Create a supercell with the size 4x1x1. | data_image0
_chemical_formula_structural Zn4Cu8B8O24
_chemical_formula_sum "Zn4 Cu8 B8 O24"
_cell_length_a 14.932995
_cell_length_b 3.374347
_cell_length_c 9.359907979999997
_cell_angle_alpha 83.02729502000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name... | data_image0
_chemical_formula_structural Zn4Cu8B8O24Zn4Cu8B8O24Zn4Cu8B8O24Zn4Cu8B8O24
_chemical_formula_sum "Zn16 Cu32 B32 O96"
_cell_length_a 59.73198
_cell_length_b 3.374347
_cell_length_c 9.359907979999997
_cell_angle_alpha 83.02729502000001
_cell_angle_beta 90.0
_cell_ang... |
SuperCellAction | 707d3fa1-a749-4ee3-9639-a5fc01210584 | mp-1176457 | Create a supercell with the size 1*4*1. | data_image0
_chemical_formula_structural Mn6O2F10
_chemical_formula_sum "Mn6 O2 F10"
_cell_length_a 5.858324
_cell_length_b 5.89193293
_cell_length_c 7.57491206
_cell_angle_alpha 73.75590791
_cell_angle_beta 73.47966378
_cell_angle_gamma 71.89549521
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Mn6O2F10Mn6O2F10Mn6O2F10Mn6O2F10
_chemical_formula_sum "Mn24 O8 F40"
_cell_length_a 5.858324
_cell_length_b 23.56773172
_cell_length_c 7.57491206
_cell_angle_alpha 73.75590791
_cell_angle_beta 73.47966378
_cell_angle_gamma 71.895495... |
SuperCellAction | f9040cad-20bd-42cf-8324-ce5a4ce9376d | mp-1209764 | Create a supercell with the size 1X1X2. | data_image0
_chemical_formula_structural Pr4Ni2Pt2O12
_chemical_formula_sum "Pr4 Ni2 Pt2 O12"
_cell_length_a 5.805015
_cell_length_b 5.516006
_cell_length_c 9.629747
_cell_angle_alpha 54.99066571
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Pr4Ni2Pt2O12Pr4Ni2Pt2O12
_chemical_formula_sum "Pr8 Ni4 Pt4 O24"
_cell_length_a 5.805015
_cell_length_b 5.516006
_cell_length_c 19.259494
_cell_angle_alpha 54.99066571
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_... |
SuperCellAction | 13aea42f-e6f4-406e-a34d-89a6bbfc8b34 | mp-763429 | Create a supercell with the size 3x2x1. | data_image0
_chemical_formula_structural LiFeCo2O6
_chemical_formula_sum "Li1 Fe1 Co2 O6"
_cell_length_a 6.54234775
_cell_length_b 2.88058675
_cell_length_c 5.941892660000001
_cell_angle_alpha 89.98781491000001
_cell_angle_beta 104.92589905999999
_cell_angle_gamma 77.28999... | data_image0
_chemical_formula_structural LiFeCo2O6LiFeCo2O6LiFeCo2O6LiFeCo2O6LiFeCo2O6LiFeCo2O6
_chemical_formula_sum "Li6 Fe6 Co12 O36"
_cell_length_a 19.62704325
_cell_length_b 5.7611735
_cell_length_c 5.941892660000001
_cell_angle_alpha 89.98781491000001
_cell_angle_beta 1... |
SuperCellAction | 0286c00a-791d-46c7-8960-aebb344ff359 | mp-17335 | Create a supercell with the size 4 by 1 by 1. | data_image0
_chemical_formula_structural Er2Ag2W4O16
_chemical_formula_sum "Er2 Ag2 W4 O16"
_cell_length_a 7.3780097
_cell_length_b 7.3780097
_cell_length_c 7.27900416
_cell_angle_alpha 65.8955223
_cell_angle_beta 65.8955223
_cell_angle_gamma 94.60728295
_space_group_name... | data_image0
_chemical_formula_structural Er2Ag2W4O16Er2Ag2W4O16Er2Ag2W4O16Er2Ag2W4O16
_chemical_formula_sum "Er8 Ag8 W16 O64"
_cell_length_a 29.5120388
_cell_length_b 7.3780097
_cell_length_c 7.27900416
_cell_angle_alpha 65.8955223
_cell_angle_beta 65.8955223
_cell_angle_gamm... |
SuperCellAction | 8622fc42-0b59-4c6b-b5b7-eaafd90152e1 | mp-768152 | Create a supercell with the size 1x1x2. | data_image0
_chemical_formula_structural Na2Zr2P2C2O14
_chemical_formula_sum "Na2 Zr2 P2 C2 O14"
_cell_length_a 6.683711
_cell_length_b 5.793755
_cell_length_c 9.35326136
_cell_angle_alpha 87.59197392
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Na2Zr2P2C2O14Na2Zr2P2C2O14
_chemical_formula_sum "Na4 Zr4 P4 C4 O28"
_cell_length_a 6.683711
_cell_length_b 5.793755
_cell_length_c 18.70652272
_cell_angle_alpha 87.59197392
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group... |
SuperCellAction | 3b4bc470-1e26-4689-afc8-f4fb74037ef9 | mp-569862 | Create a supercell with the size 4*1*1. | data_image0
_chemical_formula_structural Rb8P4Se18
_chemical_formula_sum "Rb8 P4 Se18"
_cell_length_a 7.22549953
_cell_length_b 7.2254675100000005
_cell_length_c 19.33043277
_cell_angle_alpha 87.82479973999999
_cell_angle_beta 87.82577989999999
_cell_angle_gamma 94.7290038... | data_image0
_chemical_formula_structural Rb8P4Se18Rb8P4Se18Rb8P4Se18Rb8P4Se18
_chemical_formula_sum "Rb32 P16 Se72"
_cell_length_a 28.90199812
_cell_length_b 7.2254675100000005
_cell_length_c 19.33043277
_cell_angle_alpha 87.82479973999999
_cell_angle_beta 87.82577989999999
_... |
SuperCellAction | f56c1d99-1e0e-4c5c-beb8-d7da9d94987a | mp-774323 | Create a supercell with the size 4×1×1. | data_image0
_chemical_formula_structural Li4MnV3P8O28
_chemical_formula_sum "Li4 Mn1 V3 P8 O28"
_cell_length_a 9.59318342
_cell_length_b 9.6385449
_cell_length_c 7.16138384
_cell_angle_alpha 79.76081101
_cell_angle_beta 79.1205151
_cell_angle_gamma 119.11758347999998
_spa... | data_image0
_chemical_formula_structural Li4MnV3P8O28Li4MnV3P8O28Li4MnV3P8O28Li4MnV3P8O28
_chemical_formula_sum "Li16 Mn4 V12 P32 O112"
_cell_length_a 38.37273368
_cell_length_b 9.6385449
_cell_length_c 7.16138384
_cell_angle_alpha 79.76081101
_cell_angle_beta 79.1205151
_cel... |
SuperCellAction | 9ab404fb-3878-48b5-b619-a4560804dea6 | mp-766529 | Create a supercell with the size 1X3X2. | data_image0
_chemical_formula_structural Li4Fe4Si4O16
_chemical_formula_sum "Li4 Fe4 Si4 O16"
_cell_length_a 5.136106
_cell_length_b 6.43709
_cell_length_c 10.844521
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... | data_image0
_chemical_formula_structural Li4Fe4Si4O16Li4Fe4Si4O16Li4Fe4Si4O16Li4Fe4Si4O16Li4Fe4Si4O16Li4Fe4Si4O16
_chemical_formula_sum "Li24 Fe24 Si24 O96"
_cell_length_a 5.136106
_cell_length_b 19.31127
_cell_length_c 21.689042
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_... |
SuperCellAction | 41d300db-38c4-45f4-b95d-417c9e2faa11 | mp-2228376 | Create a supercell with the size 1X1X4. | data_image0
_chemical_formula_structural MgMnSb4O12
_chemical_formula_sum "Mg1 Mn1 Sb4 O12"
_cell_length_a 5.44583467
_cell_length_b 10.97987656
_cell_length_c 9.63359379
_cell_angle_alpha 28.784662000000015
_cell_angle_beta 52.83049563000001
_cell_angle_gamma 57.964617460... | data_image0
_chemical_formula_structural MgMnSb4O12MgMnSb4O12MgMnSb4O12MgMnSb4O12
_chemical_formula_sum "Mg4 Mn4 Sb16 O48"
_cell_length_a 5.44583467
_cell_length_b 10.97987656
_cell_length_c 38.53437516
_cell_angle_alpha 28.784662000000015
_cell_angle_beta 52.83049563000001
_... |
SuperCellAction | 6d39958f-8df7-4e1b-8ad9-b1a7bc0196fa | mp-1105068 | Create a supercell with the size 4×1×1. | data_image0
_chemical_formula_structural BaYFe4O7
_chemical_formula_sum "Ba1 Y1 Fe4 O7"
_cell_length_a 6.47491245
_cell_length_b 6.47491245
_cell_length_c 6.474912450000001
_cell_angle_alpha 121.45587253
_cell_angle_beta 121.45587253
_cell_angle_gamma 87.49632515
_space_g... | data_image0
_chemical_formula_structural BaYFe4O7BaYFe4O7BaYFe4O7BaYFe4O7
_chemical_formula_sum "Ba4 Y4 Fe16 O28"
_cell_length_a 25.8996498
_cell_length_b 6.47491245
_cell_length_c 6.474912450000001
_cell_angle_alpha 121.45587253
_cell_angle_beta 121.45587253
_cell_angle_gamm... |
SuperCellAction | 929ff080-db66-46c3-9d9c-eb68390a9ad9 | mp-705430 | Create a supercell with the size 4×2×1. | data_image0
_chemical_formula_structural Mn24O48
_chemical_formula_sum "Mn24 O48"
_cell_length_a 5.84821856
_cell_length_b 5.84821856
_cell_length_c 28.638432
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000632
_space_group_name_H-M_alt "P 1"
_s... | data_image0
_chemical_formula_structural Mn24O48Mn24O48Mn24O48Mn24O48Mn24O48Mn24O48Mn24O48Mn24O48
_chemical_formula_sum "Mn192 O384"
_cell_length_a 23.39287424
_cell_length_b 11.69643712
_cell_length_c 28.638432
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma ... |
SuperCellAction | 0a095342-9dd0-4fe9-a69d-3aea92462a21 | mp-1097054 | Create a supercell with the size 3 by 1 by 1. | data_image0
_chemical_formula_structural K4Ce8Fe4O24
_chemical_formula_sum "K4 Ce8 Fe4 O24"
_cell_length_a 5.994042
_cell_length_b 8.445889
_cell_length_c 11.558087
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... | data_image0
_chemical_formula_structural K4Ce8Fe4O24K4Ce8Fe4O24K4Ce8Fe4O24
_chemical_formula_sum "K12 Ce24 Fe12 O72"
_cell_length_a 17.982126
_cell_length_b 8.445889
_cell_length_c 11.558087
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_... |
SuperCellAction | 60fce901-e698-4e7e-bd95-5fa84648efbf | mp-1233358 | Create a supercell with the size 1x2x3. | data_image0
_chemical_formula_structural CaV6O11F
_chemical_formula_sum "Ca1 V6 O11 F1"
_cell_length_a 4.61079484
_cell_length_b 4.734470019999999
_cell_length_c 10.72654479
_cell_angle_alpha 90.32530835
_cell_angle_beta 79.88642504
_cell_angle_gamma 87.87571552
_space_gr... | data_image0
_chemical_formula_structural CaV6O11FCaV6O11FCaV6O11FCaV6O11FCaV6O11FCaV6O11F
_chemical_formula_sum "Ca6 V36 O66 F6"
_cell_length_a 4.61079484
_cell_length_b 9.468940039999998
_cell_length_c 32.17963437
_cell_angle_alpha 90.32530835
_cell_angle_beta 79.88642504
_c... |
SuperCellAction | f0a5923f-7f4e-4a30-8704-b645ef945eb4 | mp-760314 | Create a supercell with the size 2 by 1 by 3. | data_image0
_chemical_formula_structural V6O5F19
_chemical_formula_sum "V6 O5 F19"
_cell_length_a 5.357245
_cell_length_b 5.49728866
_cell_length_c 14.92364534
_cell_angle_alpha 100.56613557999998
_cell_angle_beta 89.65687162
_cell_angle_gamma 92.05213902999999
_space_gro... | data_image0
_chemical_formula_structural V6O5F19V6O5F19V6O5F19V6O5F19V6O5F19V6O5F19
_chemical_formula_sum "V36 O30 F114"
_cell_length_a 10.71449
_cell_length_b 5.49728866
_cell_length_c 44.77093602
_cell_angle_alpha 100.56613557999998
_cell_angle_beta 89.65687162
_cell_angle_... |
SuperCellAction | 90ed6e3c-d02d-443c-8600-e51cfc6c4ef0 | mp-606949 | Create a supercell with the size 1×2×1. | data_image0
_chemical_formula_structural C12
_chemical_formula_sum "C12"
_cell_length_a 2.45625014
_cell_length_b 2.4562497799999994
_cell_length_c 29.4918787
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99943415000001
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural C24
_chemical_formula_sum "C24"
_cell_length_a 2.45625014
_cell_length_b 4.912499559999999
_cell_length_c 29.4918787
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99943415000001
_space_group_name_H-M_alt "P ... |
SuperCellAction | f1d71eab-ab92-47da-bac8-af0eab89fc20 | mp-759863 | Create a supercell with the size 2*1*3. | data_image0
_chemical_formula_structural Na4V2O6
_chemical_formula_sum "Na4 V2 O6"
_cell_length_a 5.40643848
_cell_length_b 5.40643157
_cell_length_c 5.690111259999999
_cell_angle_alpha 81.39473125
_cell_angle_beta 98.6053648
_cell_angle_gamma 58.75010621
_space_group_nam... | data_image0
_chemical_formula_structural Na4V2O6Na4V2O6Na4V2O6Na4V2O6Na4V2O6Na4V2O6
_chemical_formula_sum "Na24 V12 O36"
_cell_length_a 10.81287696
_cell_length_b 5.40643157
_cell_length_c 17.070333779999995
_cell_angle_alpha 81.39473125
_cell_angle_beta 98.6053648
_cell_angl... |
SuperCellAction | c343a7a3-cafe-4303-8647-1ddacfc91b2d | mp-850249 | Create a supercell with the size 1 by 4 by 1. | data_image0
_chemical_formula_structural Fe8S10
_chemical_formula_sum "Fe8 S10"
_cell_length_a 7.85387303
_cell_length_b 7.85835612
_cell_length_c 10.20474771
_cell_angle_alpha 89.26431358
_cell_angle_beta 91.28775421000002
_cell_angle_gamma 90.00550234999999
_space_group... | data_image0
_chemical_formula_structural Fe8S10Fe8S10Fe8S10Fe8S10
_chemical_formula_sum "Fe32 S40"
_cell_length_a 7.85387303
_cell_length_b 31.43342448
_cell_length_c 10.20474771
_cell_angle_alpha 89.26431358
_cell_angle_beta 91.28775421000002
_cell_angle_gamma 90.00550234... |
SuperCellAction | 89682fac-53d9-47fa-b0cf-6706963bb5f8 | mp-864652 | Create a supercell with the size 2X1X1. | data_image0
_chemical_formula_structural Nd6Mn2Al2S14
_chemical_formula_sum "Nd6 Mn2 Al2 S14"
_cell_length_a 10.00314552
_cell_length_b 10.00314552
_cell_length_c 6.111433
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999682999999
_space_group_name_... | data_image0
_chemical_formula_structural Nd6Mn2Al2S14Nd6Mn2Al2S14
_chemical_formula_sum "Nd12 Mn4 Al4 S28"
_cell_length_a 20.00629104
_cell_length_b 10.00314552
_cell_length_c 6.111433
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999682999999
_spac... |
SuperCellAction | 532507ce-e7e0-4b2f-b6fa-cda70a856b67 | mp-1194542 | Create a supercell with the size 1x3x2. | data_image0
_chemical_formula_structural Ce4Al32Co8
_chemical_formula_sum "Ce4 Al32 Co8"
_cell_length_a 3.98553243
_cell_length_b 12.34172752
_cell_length_c 14.25046222
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Ce4Al32Co8Ce4Al32Co8Ce4Al32Co8Ce4Al32Co8Ce4Al32Co8Ce4Al32Co8
_chemical_formula_sum "Ce24 Al192 Co48"
_cell_length_a 3.98553243
_cell_length_b 37.02518256
_cell_length_c 28.50092444
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_ang... |
SuperCellAction | 72a36c3f-7987-46db-b28f-c79ed8ca8ed3 | mp-1073136 | Create a supercell with the size 2x1x4. | data_image0
_chemical_formula_structural Mg4Si6
_chemical_formula_sum "Mg4 Si6"
_cell_length_a 9.05872674
_cell_length_b 9.05872674
_cell_length_c 5.883903
_cell_angle_alpha 75.27003462
_cell_angle_beta 75.27003462
_cell_angle_gamma 22.43453618
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Mg4Si6Mg4Si6Mg4Si6Mg4Si6Mg4Si6Mg4Si6Mg4Si6Mg4Si6
_chemical_formula_sum "Mg32 Si48"
_cell_length_a 18.11745348
_cell_length_b 9.05872674
_cell_length_c 23.535612
_cell_angle_alpha 75.27003462
_cell_angle_beta 75.27003462
_cell_angle_gam... |
SuperCellAction | 3878daba-4809-452b-a7b5-a552ae0b1496 | mp-1179984 | Create a supercell with the size 4*1*1. | data_image0
_chemical_formula_structural Pt4Br12N8
_chemical_formula_sum "Pt4 Br12 N8"
_cell_length_a 9.81559763
_cell_length_b 9.13628541
_cell_length_c 10.39186268
_cell_angle_alpha 80.59246681
_cell_angle_beta 54.876923160000004
_cell_angle_gamma 67.77205296000001
_spa... | data_image0
_chemical_formula_structural Pt4Br12N8Pt4Br12N8Pt4Br12N8Pt4Br12N8
_chemical_formula_sum "Pt16 Br48 N32"
_cell_length_a 39.26239052
_cell_length_b 9.13628541
_cell_length_c 10.39186268
_cell_angle_alpha 80.59246681
_cell_angle_beta 54.876923160000004
_cell_angle_ga... |
SuperCellAction | cdf84037-8b76-4210-812a-095a41e16ee2 | mp-655140 | Create a supercell with the size 2*4*1. | data_image0
_chemical_formula_structural Mn4Ag4O16
_chemical_formula_sum "Mn4 Ag4 O16"
_cell_length_a 9.420549
_cell_length_b 6.103708
_cell_length_c 8.35696319
_cell_angle_alpha 52.25614115
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... | data_image0
_chemical_formula_structural Mn4Ag4O16Mn4Ag4O16Mn4Ag4O16Mn4Ag4O16Mn4Ag4O16Mn4Ag4O16Mn4Ag4O16Mn4Ag4O16
_chemical_formula_sum "Mn32 Ag32 O128"
_cell_length_a 18.841098
_cell_length_b 24.414832
_cell_length_c 8.35696319
_cell_angle_alpha 52.25614115
_cell_angle_beta ... |
SuperCellAction | f2126653-22a0-4dc0-8bf5-2034f269439a | mp-768416 | Create a supercell with the size 3*2*1. | data_image0
_chemical_formula_structural Ba8Y8Br40
_chemical_formula_sum "Ba8 Y8 Br40"
_cell_length_a 9.873755
_cell_length_b 14.535612
_cell_length_c 21.382233
_cell_angle_alpha 47.81626837999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Ba8Y8Br40Ba8Y8Br40Ba8Y8Br40Ba8Y8Br40Ba8Y8Br40Ba8Y8Br40
_chemical_formula_sum "Ba48 Y48 Br240"
_cell_length_a 29.621264999999998
_cell_length_b 29.071224
_cell_length_c 21.382233
_cell_angle_alpha 47.81626837999999
_cell_angle_beta 90.0... |
SuperCellAction | bd9e05dc-352f-4027-96b5-07e56fa290cc | mp-1074233 | Create a supercell with the size 2×2×2. | data_image0
_chemical_formula_structural Mg8Si14
_chemical_formula_sum "Mg8 Si14"
_cell_length_a 3.950515
_cell_length_b 6.859053
_cell_length_c 14.93747589
_cell_angle_alpha 77.51700546
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... | data_image0
_chemical_formula_structural Mg8Si14Mg8Si14Mg8Si14Mg8Si14Mg8Si14Mg8Si14Mg8Si14Mg8Si14
_chemical_formula_sum "Mg64 Si112"
_cell_length_a 7.90103
_cell_length_b 13.718106
_cell_length_c 29.87495178
_cell_angle_alpha 77.51700546
_cell_angle_beta 90.0
_cell_angle_gamm... |
SuperCellAction | 915d4cd8-84c4-4e19-b457-6984b7f39bcc | mp-772788 | Create a supercell with the size 4 by 1 by 1. | data_image0
_chemical_formula_structural Ba8Cu8O20
_chemical_formula_sum "Ba8 Cu8 O20"
_cell_length_a 4.14542501
_cell_length_b 10.68465801
_cell_length_c 13.96996051
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... | data_image0
_chemical_formula_structural Ba8Cu8O20Ba8Cu8O20Ba8Cu8O20Ba8Cu8O20
_chemical_formula_sum "Ba32 Cu32 O80"
_cell_length_a 16.58170004
_cell_length_b 10.68465801
_cell_length_c 13.96996051
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_... |
SuperCellAction | 27cc6cdb-34aa-4801-9dba-ec760634731d | mp-1195832 | Create a supercell with the size 2x3x1. | data_image0
_chemical_formula_structural Si2H24N8F8
_chemical_formula_sum "Si2 H24 N8 F8"
_cell_length_a 5.4604596
_cell_length_b 5.4604596
_cell_length_c 13.679973
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 97.01468179
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Si2H24N8F8Si2H24N8F8Si2H24N8F8Si2H24N8F8Si2H24N8F8Si2H24N8F8
_chemical_formula_sum "Si12 H144 N48 F48"
_cell_length_a 10.9209192
_cell_length_b 16.3813788
_cell_length_c 13.679973
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angl... |
SuperCellAction | 93816563-3303-4037-9c00-651e416e63ac | mp-569606 | Create a supercell with the size 1X2X1. | data_image0
_chemical_formula_structural Nd6Mn2Bi10
_chemical_formula_sum "Nd6 Mn2 Bi10"
_cell_length_a 9.67833614
_cell_length_b 9.67833614
_cell_length_c 6.511148
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000093000001
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Nd6Mn2Bi10Nd6Mn2Bi10
_chemical_formula_sum "Nd12 Mn4 Bi20"
_cell_length_a 9.67833614
_cell_length_b 19.35667228
_cell_length_c 6.511148
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000093000001
_space_group_... |
SuperCellAction | cb7f2a38-4345-48fa-92f4-1970c21a85f9 | mp-997504 | Create a supercell with the size 1x1x4. | data_image0
_chemical_formula_structural Cu6O2F10
_chemical_formula_sum "Cu6 O2 F10"
_cell_length_a 7.54065713
_cell_length_b 5.535047279999999
_cell_length_c 5.38770919
_cell_angle_alpha 70.58667508
_cell_angle_beta 107.75736870000001
_cell_angle_gamma 106.39862776
_spac... | data_image0
_chemical_formula_structural Cu6O2F10Cu6O2F10Cu6O2F10Cu6O2F10
_chemical_formula_sum "Cu24 O8 F40"
_cell_length_a 7.54065713
_cell_length_b 5.535047279999999
_cell_length_c 21.55083676
_cell_angle_alpha 70.58667508
_cell_angle_beta 107.75736870000001
_cell_angle_ga... |
SuperCellAction | 6570e26d-1ef9-4b49-b802-34f2002b8e0f | mp-1202419 | Create a supercell with the size 4*2*1. | data_image0
_chemical_formula_structural Ca2Re4C10N20O26
_chemical_formula_sum "Ca2 Re4 C10 N20 O26"
_cell_length_a 8.758417
_cell_length_b 10.10223223
_cell_length_c 15.08850013
_cell_angle_alpha 105.45414396999999
_cell_angle_beta 89.65799284
_cell_angle_gamma 94.1446102... | data_image0
_chemical_formula_structural Ca2Re4C10N20O26Ca2Re4C10N20O26Ca2Re4C10N20O26Ca2Re4C10N20O26Ca2Re4C10N20O26Ca2Re4C10N20O26Ca2Re4C10N20O26Ca2Re4C10N20O26
_chemical_formula_sum "Ca16 Re32 C80 N160 O208"
_cell_length_a 35.033668
_cell_length_b 20.20446446
_cell_length_c 15.088... |
SuperCellAction | 8d7aa8cf-af0e-4466-b059-1524dc059144 | mp-1217519 | Create a supercell with the size 1 by 1 by 4. | data_image0
_chemical_formula_structural Th2V4Pb2O16
_chemical_formula_sum "Th2 V4 Pb2 O16"
_cell_length_a 6.80264855
_cell_length_b 7.00778456
_cell_length_c 7.31435521
_cell_angle_alpha 88.92328545000001
_cell_angle_beta 87.87128071
_cell_angle_gamma 75.82591832
_space_... | data_image0
_chemical_formula_structural Th2V4Pb2O16Th2V4Pb2O16Th2V4Pb2O16Th2V4Pb2O16
_chemical_formula_sum "Th8 V16 Pb8 O64"
_cell_length_a 6.80264855
_cell_length_b 7.00778456
_cell_length_c 29.25742084
_cell_angle_alpha 88.92328545000001
_cell_angle_beta 87.87128071
_cell_... |
SuperCellAction | 32d66778-cf41-4f18-a842-1699516a1fa6 | mp-764512 | Create a supercell with the size 2x1x3. | data_image0
_chemical_formula_structural Li5Fe8B8O24
_chemical_formula_sum "Li5 Fe8 B8 O24"
_cell_length_a 5.271667
_cell_length_b 9.04378802
_cell_length_c 11.420092480000001
_cell_angle_alpha 113.07253968
_cell_angle_beta 102.26797147
_cell_angle_gamma 89.8232808
_space... | data_image0
_chemical_formula_structural Li5Fe8B8O24Li5Fe8B8O24Li5Fe8B8O24Li5Fe8B8O24Li5Fe8B8O24Li5Fe8B8O24
_chemical_formula_sum "Li30 Fe48 B48 O144"
_cell_length_a 10.543334
_cell_length_b 9.04378802
_cell_length_c 34.26027744
_cell_angle_alpha 113.07253968
_cell_angle_beta ... |
SuperCellAction | 24c6b9f3-dbb5-4f6d-86a3-10b612b1e70d | mp-1190970 | Create a supercell with the size 2*1*1. | data_image0
_chemical_formula_structural Dy6Re2B14
_chemical_formula_sum "Dy6 Re2 B14"
_cell_length_a 8.09792605
_cell_length_b 8.09792605
_cell_length_c 9.363645
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 154.74998492
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Dy6Re2B14Dy6Re2B14
_chemical_formula_sum "Dy12 Re4 B28"
_cell_length_a 16.1958521
_cell_length_b 8.09792605
_cell_length_c 9.363645
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 154.74998492
_space_group_name_H-M_a... |
SuperCellAction | ddeb9ba9-eaea-457c-8f03-f52d6da0d9a6 | mp-752981 | Create a supercell with the size 2X1X4. | data_image0
_chemical_formula_structural Li3Fe2Ni3O10
_chemical_formula_sum "Li3 Fe2 Ni3 O10"
_cell_length_a 5.048014
_cell_length_b 5.06923991
_cell_length_c 7.69817601
_cell_angle_alpha 71.25298105
_cell_angle_beta 70.93406166
_cell_angle_gamma 79.69884346
_space_group_... | data_image0
_chemical_formula_structural Li3Fe2Ni3O10Li3Fe2Ni3O10Li3Fe2Ni3O10Li3Fe2Ni3O10Li3Fe2Ni3O10Li3Fe2Ni3O10Li3Fe2Ni3O10Li3Fe2Ni3O10
_chemical_formula_sum "Li24 Fe16 Ni24 O80"
_cell_length_a 10.096028
_cell_length_b 5.06923991
_cell_length_c 30.79270404
_cell_angle_alpha 71.... |
SuperCellAction | bf07dda0-0672-48af-a392-3f4a9ad180ad | mp-1035975 | Create a supercell with the size 4x1x2. | data_image0
_chemical_formula_structural YMg14SnO16
_chemical_formula_sum "Y1 Mg14 Sn1 O16"
_cell_length_a 8.842513
_cell_length_b 8.842513
_cell_length_c 4.451059
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... | data_image0
_chemical_formula_structural YMg14SnO16YMg14SnO16YMg14SnO16YMg14SnO16YMg14SnO16YMg14SnO16YMg14SnO16YMg14SnO16
_chemical_formula_sum "Y8 Mg112 Sn8 O128"
_cell_length_a 35.370052
_cell_length_b 8.842513
_cell_length_c 8.902118
_cell_angle_alpha 90.0
_cell_angle_beta ... |
SuperCellAction | 9731c9ef-9b5e-4cc5-a4c4-bf23243f646f | mp-1245016 | Create a supercell with the size 3×2×1. | data_image0
_chemical_formula_structural Cr24Fe8O48
_chemical_formula_sum "Cr24 Fe8 O48"
_cell_length_a 10.06045022
_cell_length_b 9.24392109
_cell_length_c 10.80210828
_cell_angle_alpha 89.0298009
_cell_angle_beta 81.14865852000001
_cell_angle_gamma 91.44994278
_space_gr... | data_image0
_chemical_formula_structural Cr24Fe8O48Cr24Fe8O48Cr24Fe8O48Cr24Fe8O48Cr24Fe8O48Cr24Fe8O48
_chemical_formula_sum "Cr144 Fe48 O288"
_cell_length_a 30.18135066
_cell_length_b 18.48784218
_cell_length_c 10.80210828
_cell_angle_alpha 89.0298009
_cell_angle_beta 81.1486... |
SuperCellAction | 663bd823-2f9b-486c-a95f-8b5d8c0e5ccd | mp-762067 | Create a supercell with the size 2*2*2. | data_image0
_chemical_formula_structural Li8Ti6V6Sb4O32
_chemical_formula_sum "Li8 Ti6 V6 Sb4 O32"
_cell_length_a 6.0189181
_cell_length_b 10.36298234
_cell_length_c 10.54535638
_cell_angle_alpha 89.79099985000002
_cell_angle_beta 89.60494715999998
_cell_angle_gamma 89.758... | data_image0
_chemical_formula_structural Li8Ti6V6Sb4O32Li8Ti6V6Sb4O32Li8Ti6V6Sb4O32Li8Ti6V6Sb4O32Li8Ti6V6Sb4O32Li8Ti6V6Sb4O32Li8Ti6V6Sb4O32Li8Ti6V6Sb4O32
_chemical_formula_sum "Li64 Ti48 V48 Sb32 O256"
_cell_length_a 12.0378362
_cell_length_b 20.72596468
_cell_length_c 21.09071276
_... |
SuperCellAction | 7b3603c9-6c7a-4459-8b71-080b8fb20f36 | mp-1175286 | Create a supercell with the size 3 by 2 by 1. | data_image0
_chemical_formula_structural Li7Mn4CoO12
_chemical_formula_sum "Li7 Mn4 Co1 O12"
_cell_length_a 3.011831
_cell_length_b 7.836913590000001
_cell_length_c 10.1632771
_cell_angle_alpha 111.10427026
_cell_angle_beta 91.87023879000002
_cell_angle_gamma 96.3936555499... | data_image0
_chemical_formula_structural Li7Mn4CoO12Li7Mn4CoO12Li7Mn4CoO12Li7Mn4CoO12Li7Mn4CoO12Li7Mn4CoO12
_chemical_formula_sum "Li42 Mn24 Co6 O72"
_cell_length_a 9.035492999999999
_cell_length_b 15.673827180000002
_cell_length_c 10.1632771
_cell_angle_alpha 111.10427026
_cell_... |
SuperCellAction | 5227365d-1a46-463d-ad1f-964d068b21f2 | mp-768283 | Create a supercell with the size 2*2*1. | data_image0
_chemical_formula_structural U2As4H12O22
_chemical_formula_sum "U2 As4 H12 O22"
_cell_length_a 8.08597326
_cell_length_b 8.08597326
_cell_length_c 9.104081889999998
_cell_angle_alpha 62.303679679999995
_cell_angle_beta 62.303679679999995
_cell_angle_gamma 68.58... | data_image0
_chemical_formula_structural U2As4H12O22U2As4H12O22U2As4H12O22U2As4H12O22
_chemical_formula_sum "U8 As16 H48 O88"
_cell_length_a 16.17194652
_cell_length_b 16.17194652
_cell_length_c 9.104081889999998
_cell_angle_alpha 62.303679679999995
_cell_angle_beta 62.303679... |
SuperCellAction | 0c3a7ea5-a52e-4b24-bae0-7d142b1e873b | mp-774074 | Create a supercell with the size 2X3X1. | data_image0
_chemical_formula_structural Na4Sb8O22
_chemical_formula_sum "Na4 Sb8 O22"
_cell_length_a 10.5889115
_cell_length_b 10.5889115
_cell_length_c 7.26848624
_cell_angle_alpha 85.04279527
_cell_angle_beta 85.04279527
_cell_angle_gamma 42.32207167000001
_space_group... | data_image0
_chemical_formula_structural Na4Sb8O22Na4Sb8O22Na4Sb8O22Na4Sb8O22Na4Sb8O22Na4Sb8O22
_chemical_formula_sum "Na24 Sb48 O132"
_cell_length_a 21.177823
_cell_length_b 31.7667345
_cell_length_c 7.26848624
_cell_angle_alpha 85.04279527
_cell_angle_beta 85.04279527
_cell... |
SuperCellAction | 63680219-71d4-43fa-b565-40e01abb0777 | mp-773086 | Create a supercell with the size 2x2x2. | data_image0
_chemical_formula_structural Li8Mn6Sb2O16
_chemical_formula_sum "Li8 Mn6 Sb2 O16"
_cell_length_a 6.24481563
_cell_length_b 10.52200863
_cell_length_c 6.244511720000001
_cell_angle_alpha 72.82187626
_cell_angle_beta 60.02867977
_cell_angle_gamma 72.82830686
_sp... | data_image0
_chemical_formula_structural Li8Mn6Sb2O16Li8Mn6Sb2O16Li8Mn6Sb2O16Li8Mn6Sb2O16Li8Mn6Sb2O16Li8Mn6Sb2O16Li8Mn6Sb2O16Li8Mn6Sb2O16
_chemical_formula_sum "Li64 Mn48 Sb16 O128"
_cell_length_a 12.48963126
_cell_length_b 21.04401726
_cell_length_c 12.489023440000002
_cell_angle_a... |
SuperCellAction | d630f523-3125-4386-adc3-6d7f19f5c647 | mp-1036083 | Create a supercell with the size 1*2*4. | data_image0
_chemical_formula_structural Mg14MnBO16
_chemical_formula_sum "Mg14 Mn1 B1 O16"
_cell_length_a 8.533673
_cell_length_b 8.533673
_cell_length_c 4.249207
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... | data_image0
_chemical_formula_structural Mg14MnBO16Mg14MnBO16Mg14MnBO16Mg14MnBO16Mg14MnBO16Mg14MnBO16Mg14MnBO16Mg14MnBO16
_chemical_formula_sum "Mg112 Mn8 B8 O128"
_cell_length_a 8.533673
_cell_length_b 17.067346
_cell_length_c 16.996828
_cell_angle_alpha 90.0
_cell_angle_beta ... |
SuperCellAction | d357b171-0c84-4376-9ec1-2cb6256f87dc | mp-780696 | Create a supercell with the size 3×2×1. | data_image0
_chemical_formula_structural Ca2Mn2As4H12O20
_chemical_formula_sum "Ca2 Mn2 As4 H12 O20"
_cell_length_a 7.051194
_cell_length_b 7.74502953
_cell_length_c 8.57751548
_cell_angle_alpha 84.59965532
_cell_angle_beta 82.10451642
_cell_angle_gamma 81.56884082
_space... | data_image0
_chemical_formula_structural Ca2Mn2As4H12O20Ca2Mn2As4H12O20Ca2Mn2As4H12O20Ca2Mn2As4H12O20Ca2Mn2As4H12O20Ca2Mn2As4H12O20
_chemical_formula_sum "Ca12 Mn12 As24 H72 O120"
_cell_length_a 21.153582
_cell_length_b 15.49005906
_cell_length_c 8.57751548
_cell_angle_alpha 84.5... |
SuperCellAction | 848f1596-d563-45f0-9983-01c53ff68be1 | mp-559286 | Create a supercell with the size 1×1×3. | data_image0
_chemical_formula_structural Na8Al6Ge6Cl2O24
_chemical_formula_sum "Na8 Al6 Ge6 Cl2 O24"
_cell_length_a 9.141085
_cell_length_b 9.141085
_cell_length_c 9.141085
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Na8Al6Ge6Cl2O24Na8Al6Ge6Cl2O24Na8Al6Ge6Cl2O24
_chemical_formula_sum "Na24 Al18 Ge18 Cl6 O72"
_cell_length_a 9.141085
_cell_length_b 9.141085
_cell_length_c 27.423255
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.... |
SuperCellAction | f627e0b1-6dc5-495b-a8d7-316880471f72 | mp-753161 | Create a supercell with the size 1X1X3. | data_image0
_chemical_formula_structural Li8V4O8F8
_chemical_formula_sum "Li8 V4 O8 F8"
_cell_length_a 5.84904216
_cell_length_b 10.165467960000003
_cell_length_c 5.97356504
_cell_angle_alpha 106.60283058
_cell_angle_beta 60.71069946
_cell_angle_gamma 90.03257767
_space_g... | data_image0
_chemical_formula_structural Li8V4O8F8Li8V4O8F8Li8V4O8F8
_chemical_formula_sum "Li24 V12 O24 F24"
_cell_length_a 5.84904216
_cell_length_b 10.165467960000003
_cell_length_c 17.92069512
_cell_angle_alpha 106.60283058
_cell_angle_beta 60.71069946
_cell_angle_gamma ... |
SuperCellAction | 03b50350-173f-4872-96cf-f2f8e2ab3e37 | mp-672986 | Create a supercell with the size 3X1X1. | data_image0
_chemical_formula_structural Sn4P4O16
_chemical_formula_sum "Sn4 P4 O16"
_cell_length_a 10.399244
_cell_length_b 5.726796
_cell_length_c 8.710093159999998
_cell_angle_alpha 52.21135899999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Sn4P4O16Sn4P4O16Sn4P4O16
_chemical_formula_sum "Sn12 P12 O48"
_cell_length_a 31.197732
_cell_length_b 5.726796
_cell_length_c 8.710093159999998
_cell_angle_alpha 52.21135899999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space... |
SuperCellAction | 6a384400-359d-4d00-b3c1-09dca90b4497 | mp-756638 | Create a supercell with the size 1X1X4. | data_image0
_chemical_formula_structural Nb2Rh2O8
_chemical_formula_sum "Nb2 Rh2 O8"
_cell_length_a 5.63372957
_cell_length_b 5.63372918
_cell_length_c 5.6337248
_cell_angle_alpha 106.66258274999998
_cell_angle_beta 106.66258935999998
_cell_angle_gamma 115.24752548999999
... | data_image0
_chemical_formula_structural Nb2Rh2O8Nb2Rh2O8Nb2Rh2O8Nb2Rh2O8
_chemical_formula_sum "Nb8 Rh8 O32"
_cell_length_a 5.63372957
_cell_length_b 5.63372918
_cell_length_c 22.5348992
_cell_angle_alpha 106.66258274999998
_cell_angle_beta 106.66258935999998
_cell_angle_gam... |
SuperCellAction | ea90b1ed-9be8-4ea6-8139-45f816cb3452 | mp-1073590 | Create a supercell with the size 1X2X2. | data_image0
_chemical_formula_structural Mg8Si16
_chemical_formula_sum "Mg8 Si16"
_cell_length_a 6.315551
_cell_length_b 6.498333819999999
_cell_length_c 11.109406969999998
_cell_angle_alpha 89.17862674999999
_cell_angle_beta 89.91441788999998
_cell_angle_gamma 88.95451084... | data_image0
_chemical_formula_structural Mg8Si16Mg8Si16Mg8Si16Mg8Si16
_chemical_formula_sum "Mg32 Si64"
_cell_length_a 6.315551
_cell_length_b 12.996667639999998
_cell_length_c 22.218813939999997
_cell_angle_alpha 89.17862674999999
_cell_angle_beta 89.91441788999998
_cell_ang... |
SuperCellAction | 38e015f4-624a-4f64-8751-3c2af735c7fa | mp-1179444 | Create a supercell with the size 1 by 1 by 3. | data_image0
_chemical_formula_structural Re4C4S4N8Cl12O8
_chemical_formula_sum "Re4 C4 S4 N8 Cl12 O8"
_cell_length_a 7.984612
_cell_length_b 11.601284
_cell_length_c 13.043783
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Re4C4S4N8Cl12O8Re4C4S4N8Cl12O8Re4C4S4N8Cl12O8
_chemical_formula_sum "Re12 C12 S12 N24 Cl36 O24"
_cell_length_a 7.984612
_cell_length_b 11.601284
_cell_length_c 39.131349
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma ... |
SuperCellAction | e2018956-9fa6-4adb-a4be-61635e853429 | mp-1223166 | Create a supercell with the size 2x1x4. | data_image0
_chemical_formula_structural La4FeNi3O12
_chemical_formula_sum "La4 Fe1 Ni3 O12"
_cell_length_a 5.461621
_cell_length_b 5.55560827
_cell_length_c 7.79621485
_cell_angle_alpha 89.87058872
_cell_angle_beta 88.50660265
_cell_angle_gamma 89.98197263000002
_space_g... | data_image0
_chemical_formula_structural La4FeNi3O12La4FeNi3O12La4FeNi3O12La4FeNi3O12La4FeNi3O12La4FeNi3O12La4FeNi3O12La4FeNi3O12
_chemical_formula_sum "La32 Fe8 Ni24 O96"
_cell_length_a 10.923242
_cell_length_b 5.55560827
_cell_length_c 31.1848594
_cell_angle_alpha 89.87058872
_... |
SuperCellAction | f2b4cefa-3232-485d-9556-7eb677c5900d | mp-1030158 | Create a supercell with the size 1*3*2. | data_image0
_chemical_formula_structural Te4MoW3Se4
_chemical_formula_sum "Te4 Mo1 W3 Se4"
_cell_length_a 3.43838273
_cell_length_b 3.4383827300000003
_cell_length_c 39.190401
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.000014
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Te4MoW3Se4Te4MoW3Se4Te4MoW3Se4Te4MoW3Se4Te4MoW3Se4Te4MoW3Se4
_chemical_formula_sum "Te24 Mo6 W18 Se24"
_cell_length_a 3.43838273
_cell_length_b 10.31514819
_cell_length_c 78.380802
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_ang... |
SuperCellAction | 22677ef7-d0f7-42bc-9e66-3bd316a8af26 | mp-1173920 | Create a supercell with the size 1*1*2. | data_image0
_chemical_formula_structural Li4Mn2Co2O8
_chemical_formula_sum "Li4 Mn2 Co2 O8"
_cell_length_a 5.047436
_cell_length_b 5.08305378
_cell_length_c 6.09404475
_cell_angle_alpha 91.46642466000002
_cell_angle_beta 92.13881515
_cell_angle_gamma 106.53901902
_space_g... | data_image0
_chemical_formula_structural Li4Mn2Co2O8Li4Mn2Co2O8
_chemical_formula_sum "Li8 Mn4 Co4 O16"
_cell_length_a 5.047436
_cell_length_b 5.08305378
_cell_length_c 12.1880895
_cell_angle_alpha 91.46642466000002
_cell_angle_beta 92.13881515
_cell_angle_gamma 106.539019... |
SuperCellAction | e5148cdd-bd5d-4b2a-9f95-8b07146d6b58 | mp-1517518 | Create a supercell with the size 3 by 1 by 1. | data_image0
_chemical_formula_structural BaCeEuCrO6
_chemical_formula_sum "Ba1 Ce1 Eu1 Cr1 O6"
_cell_length_a 5.8690142
_cell_length_b 5.8690142
_cell_length_c 5.869014199999999
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.9... | data_image0
_chemical_formula_structural BaCeEuCrO6BaCeEuCrO6BaCeEuCrO6
_chemical_formula_sum "Ba3 Ce3 Eu3 Cr3 O18"
_cell_length_a 17.6070426
_cell_length_b 5.8690142
_cell_length_c 5.869014199999999
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cel... |
SuperCellAction | a7730e09-e306-48da-be13-c36378af133a | mp-1239078 | Create a supercell with the size 2X3X1. | data_image0
_chemical_formula_structural Ho8Bi16C8
_chemical_formula_sum "Ho8 Bi16 C8"
_cell_length_a 10.729442
_cell_length_b 10.729442
_cell_length_c 7.145487
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_g... | data_image0
_chemical_formula_structural Ho8Bi16C8Ho8Bi16C8Ho8Bi16C8Ho8Bi16C8Ho8Bi16C8Ho8Bi16C8
_chemical_formula_sum "Ho48 Bi96 C48"
_cell_length_a 21.458884
_cell_length_b 32.188326
_cell_length_c 7.145487
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90... |
SuperCellAction | 923d87c0-3b45-4cf8-afdb-ba8f9de54958 | mp-561527 | Create a supercell with the size 1X3X1. | data_image0
_chemical_formula_structural Rb6Zr4P10S36
_chemical_formula_sum "Rb6 Zr4 P10 S36"
_cell_length_a 6.87203973
_cell_length_b 6.87203973
_cell_length_c 33.89701359
_cell_angle_alpha 86.13173872
_cell_angle_beta 86.13173872
_cell_angle_gamma 92.9822827
_space_grou... | data_image0
_chemical_formula_structural Rb6Zr4P10S36Rb6Zr4P10S36Rb6Zr4P10S36
_chemical_formula_sum "Rb18 Zr12 P30 S108"
_cell_length_a 6.87203973
_cell_length_b 20.61611919
_cell_length_c 33.89701359
_cell_angle_alpha 86.13173872
_cell_angle_beta 86.13173872
_cell_angle_gamm... |
SuperCellAction | 5e0d200f-3d76-4b51-b567-636599e9340f | mp-1245478 | Create a supercell with the size 2 by 3 by 1. | data_image0
_chemical_formula_structural Cr4Fe8N12
_chemical_formula_sum "Cr4 Fe8 N12"
_cell_length_a 5.03270613
_cell_length_b 8.67560755
_cell_length_c 9.92142101
_cell_angle_alpha 90.00000061
_cell_angle_beta 94.19564493
_cell_angle_gamma 149.5331525
_space_group_name_... | data_image0
_chemical_formula_structural Cr4Fe8N12Cr4Fe8N12Cr4Fe8N12Cr4Fe8N12Cr4Fe8N12Cr4Fe8N12
_chemical_formula_sum "Cr24 Fe48 N72"
_cell_length_a 10.06541226
_cell_length_b 26.02682265
_cell_length_c 9.92142101
_cell_angle_alpha 90.00000061
_cell_angle_beta 94.19564493
_ce... |
SuperCellAction | b07c3676-5113-4999-9c81-cafb5ba7b719 | mp-1033433 | Create a supercell with the size 2×1×1. | data_image0
_chemical_formula_structural SrMg6NbO8
_chemical_formula_sum "Sr1 Mg6 Nb1 O8"
_cell_length_a 8.92237953
_cell_length_b 4.49102413
_cell_length_c 4.49102413
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... | data_image0
_chemical_formula_structural SrMg6NbO8SrMg6NbO8
_chemical_formula_sum "Sr2 Mg12 Nb2 O16"
_cell_length_a 17.84475906
_cell_length_b 4.49102413
_cell_length_c 4.49102413
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... |
SuperCellAction | 8175804a-caed-4c3e-9d6b-c91145d7771d | mp-1518584 | Create a supercell with the size 2×2×2. | data_image0
_chemical_formula_structural SmDyCo4O12
_chemical_formula_sum "Sm1 Dy1 Co4 O12"
_cell_length_a 5.2469997
_cell_length_b 5.2469997
_cell_length_c 7.48993786
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... | data_image0
_chemical_formula_structural SmDyCo4O12SmDyCo4O12SmDyCo4O12SmDyCo4O12SmDyCo4O12SmDyCo4O12SmDyCo4O12SmDyCo4O12
_chemical_formula_sum "Sm8 Dy8 Co32 O96"
_cell_length_a 10.4939994
_cell_length_b 10.4939994
_cell_length_c 14.97987572
_cell_angle_alpha 90.0
_cell_angle_bet... |
SuperCellAction | e4a20469-2cbb-4734-bbae-eb949660f89e | mp-2222843 | Create a supercell with the size 4*1*1. | data_image0
_chemical_formula_structural KMgNiIO6
_chemical_formula_sum "K1 Mg1 Ni1 I1 O6"
_cell_length_a 5.243893
_cell_length_b 5.24389277
_cell_length_c 6.498199
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000775000001
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural KMgNiIO6KMgNiIO6KMgNiIO6KMgNiIO6
_chemical_formula_sum "K4 Mg4 Ni4 I4 O24"
_cell_length_a 20.975572
_cell_length_b 5.24389277
_cell_length_c 6.498199
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000775000001
... |
SuperCellAction | 32eb3276-41a1-41db-a7bc-3f2653c8306d | mp-768873 | Create a supercell with the size 1×3×2. | data_image0
_chemical_formula_structural Y8Ge4O20
_chemical_formula_sum "Y8 Ge4 O20"
_cell_length_a 6.92273925
_cell_length_b 6.76157492
_cell_length_c 9.31830165
_cell_angle_alpha 80.69413633000002
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Y8Ge4O20Y8Ge4O20Y8Ge4O20Y8Ge4O20Y8Ge4O20Y8Ge4O20
_chemical_formula_sum "Y48 Ge24 O120"
_cell_length_a 6.92273925
_cell_length_b 20.28472476
_cell_length_c 18.6366033
_cell_angle_alpha 80.69413633000002
_cell_angle_beta 90.0
_cell_angle... |
SuperCellAction | a4a66442-6bcb-446d-9e5c-a4c970be1a23 | mp-1246911 | Create a supercell with the size 2x1x3. | data_image0
_chemical_formula_structural Mn4Pb4N8
_chemical_formula_sum "Mn4 Pb4 N8"
_cell_length_a 5.843427
_cell_length_b 7.69255
_cell_length_c 5.283936
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group_... | data_image0
_chemical_formula_structural Mn4Pb4N8Mn4Pb4N8Mn4Pb4N8Mn4Pb4N8Mn4Pb4N8Mn4Pb4N8
_chemical_formula_sum "Mn24 Pb24 N48"
_cell_length_a 11.686854
_cell_length_b 7.69255
_cell_length_c 15.851807999999998
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma ... |
SuperCellAction | 500fca47-dc7c-44bf-b95d-91479ee96cbf | mp-778104 | Create a supercell with the size 2 by 4 by 1. | data_image0
_chemical_formula_structural Na8V8O20
_chemical_formula_sum "Na8 V8 O20"
_cell_length_a 5.347748
_cell_length_b 6.609739
_cell_length_c 17.007004
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_grou... | data_image0
_chemical_formula_structural Na8V8O20Na8V8O20Na8V8O20Na8V8O20Na8V8O20Na8V8O20Na8V8O20Na8V8O20
_chemical_formula_sum "Na64 V64 O160"
_cell_length_a 10.695496
_cell_length_b 26.438956
_cell_length_c 17.007004
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_... |
SuperCellAction | 9c600840-4c4b-4f2f-b1c8-324393f1f905 | mp-1032803 | Create a supercell with the size 1*1*4. | data_image0
_chemical_formula_structural Mg6MnZnO8
_chemical_formula_sum "Mg6 Mn1 Zn1 O8"
_cell_length_a 8.60024287
_cell_length_b 4.31000015
_cell_length_c 4.31000015
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... | data_image0
_chemical_formula_structural Mg6MnZnO8Mg6MnZnO8Mg6MnZnO8Mg6MnZnO8
_chemical_formula_sum "Mg24 Mn4 Zn4 O32"
_cell_length_a 8.60024287
_cell_length_b 4.31000015
_cell_length_c 17.2400006
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_... |
SuperCellAction | 653b9716-a6f5-4b32-86bd-7aa651b23cbd | mp-708997 | Create a supercell with the size 1 by 4 by 1. | data_image0
_chemical_formula_structural H52C12N4F16
_chemical_formula_sum "H52 C12 N4 F16"
_cell_length_a 7.739209
_cell_length_b 9.434008839999999
_cell_length_c 10.84157983
_cell_angle_alpha 102.60439327999998
_cell_angle_beta 91.75593377999999
_cell_angle_gamma 90.7324... | data_image0
_chemical_formula_structural H52C12N4F16H52C12N4F16H52C12N4F16H52C12N4F16
_chemical_formula_sum "H208 C48 N16 F64"
_cell_length_a 7.739209
_cell_length_b 37.736035359999995
_cell_length_c 10.84157983
_cell_angle_alpha 102.60439327999998
_cell_angle_beta 91.7559337... |
SuperCellAction | 534a065a-2d52-4071-bdb6-5f68054f353e | mp-1210133 | Create a supercell with the size 2x1x2. | data_image0
_chemical_formula_structural Na4Ga4P8O28
_chemical_formula_sum "Na4 Ga4 P8 O28"
_cell_length_a 7.923065
_cell_length_b 7.374088
_cell_length_c 9.57433286
_cell_angle_alpha 67.84418012
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Na4Ga4P8O28Na4Ga4P8O28Na4Ga4P8O28Na4Ga4P8O28
_chemical_formula_sum "Na16 Ga16 P32 O112"
_cell_length_a 15.84613
_cell_length_b 7.374088
_cell_length_c 19.14866572
_cell_angle_alpha 67.84418012
_cell_angle_beta 90.0
_cell_angle_gamma ... |
SuperCellAction | 15e92160-cc33-4f8d-9e8c-fa9988b621c9 | mp-1226187 | Create a supercell with the size 1 by 2 by 4. | data_image0
_chemical_formula_structural Cs3Rb5Se4O16
_chemical_formula_sum "Cs3 Rb5 Se4 O16"
_cell_length_a 6.422812
_cell_length_b 8.37181042
_cell_length_c 11.19787457
_cell_angle_alpha 90.03647125
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Cs3Rb5Se4O16Cs3Rb5Se4O16Cs3Rb5Se4O16Cs3Rb5Se4O16Cs3Rb5Se4O16Cs3Rb5Se4O16Cs3Rb5Se4O16Cs3Rb5Se4O16
_chemical_formula_sum "Cs24 Rb40 Se32 O128"
_cell_length_a 6.422812
_cell_length_b 16.74362084
_cell_length_c 44.79149828
_cell_angle_alpha 90... |
SuperCellAction | e803359c-cd2b-4e1a-970d-af5d62bbc511 | mp-774789 | Create a supercell with the size 4 by 1 by 1. | data_image0
_chemical_formula_structural Li8Ti4Co6Sb6O32
_chemical_formula_sum "Li8 Ti4 Co6 Sb6 O32"
_cell_length_a 6.16117543
_cell_length_b 11.44884562
_cell_length_c 10.63779233
_cell_angle_alpha 117.31285160999998
_cell_angle_beta 90.30429701
_cell_angle_gamma 74.97335... | data_image0
_chemical_formula_structural Li8Ti4Co6Sb6O32Li8Ti4Co6Sb6O32Li8Ti4Co6Sb6O32Li8Ti4Co6Sb6O32
_chemical_formula_sum "Li32 Ti16 Co24 Sb24 O128"
_cell_length_a 24.64470172
_cell_length_b 11.44884562
_cell_length_c 10.63779233
_cell_angle_alpha 117.31285160999998
_cell_angle... |
SuperCellAction | 821f4b31-8574-479e-b0af-6d9b680c5163 | mp-694554 | Create a supercell with the size 2X2X1. | data_image0
_chemical_formula_structural Mn6P8O28
_chemical_formula_sum "Mn6 P8 O28"
_cell_length_a 8.07117758
_cell_length_b 7.08445815
_cell_length_c 9.39182409
_cell_angle_alpha 70.02909736999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Mn6P8O28Mn6P8O28Mn6P8O28Mn6P8O28
_chemical_formula_sum "Mn24 P32 O112"
_cell_length_a 16.14235516
_cell_length_b 14.1689163
_cell_length_c 9.39182409
_cell_angle_alpha 70.02909736999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
... |
SuperCellAction | 8533b6fb-2da1-48d3-8564-8aa7d27a949b | mp-2241417 | Create a supercell with the size 4*1*2. | data_image0
_chemical_formula_structural Na2MgMn2O8
_chemical_formula_sum "Na2 Mg1 Mn2 O8"
_cell_length_a 5.73591922
_cell_length_b 5.73591922
_cell_length_c 7.55996077
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 57.525083220000006
_space_group_name_H-M... | data_image0
_chemical_formula_structural Na2MgMn2O8Na2MgMn2O8Na2MgMn2O8Na2MgMn2O8Na2MgMn2O8Na2MgMn2O8Na2MgMn2O8Na2MgMn2O8
_chemical_formula_sum "Na16 Mg8 Mn16 O64"
_cell_length_a 22.94367688
_cell_length_b 5.73591922
_cell_length_c 15.11992154
_cell_angle_alpha 90.0
_cell_angle_b... |
SuperCellAction | 5f930f01-26cf-4488-a1a4-c2af2695029d | mp-1247837 | Create a supercell with the size 1X4X2. | data_image0
_chemical_formula_structural Al16Zn8S32
_chemical_formula_sum "Al16 Zn8 S32"
_cell_length_a 6.159869
_cell_length_b 7.399954
_cell_length_c 26.387573
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_... | data_image0
_chemical_formula_structural Al16Zn8S32Al16Zn8S32Al16Zn8S32Al16Zn8S32Al16Zn8S32Al16Zn8S32Al16Zn8S32Al16Zn8S32
_chemical_formula_sum "Al128 Zn64 S256"
_cell_length_a 6.159869
_cell_length_b 29.599816
_cell_length_c 52.775146
_cell_angle_alpha 90.0
_cell_angle_beta ... |
SuperCellAction | 11201020-4955-4384-9505-8cb50c616266 | mp-780727 | Create a supercell with the size 2×1×2. | data_image0
_chemical_formula_structural Li4V3Cr2O10
_chemical_formula_sum "Li4 V3 Cr2 O10"
_cell_length_a 5.130637
_cell_length_b 5.15615823
_cell_length_c 7.84703594
_cell_angle_alpha 72.12691452000001
_cell_angle_beta 72.12246838
_cell_angle_gamma 79.78850535
_space_gr... | data_image0
_chemical_formula_structural Li4V3Cr2O10Li4V3Cr2O10Li4V3Cr2O10Li4V3Cr2O10
_chemical_formula_sum "Li16 V12 Cr8 O40"
_cell_length_a 10.261274
_cell_length_b 5.15615823
_cell_length_c 15.69407188
_cell_angle_alpha 72.12691452000001
_cell_angle_beta 72.12246838
_cell_... |
SuperCellAction | b72e9d11-9fb9-4338-b045-222a2aa4d9e7 | mp-1196630 | Create a supercell with the size 1x2x3. | data_image0
_chemical_formula_structural Fe2Cu16Sb6S26N12
_chemical_formula_sum "Fe2 Cu16 Sb6 S26 N12"
_cell_length_a 12.46461247
_cell_length_b 12.46461247
_cell_length_c 12.46461247
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma ... | data_image0
_chemical_formula_structural Fe2Cu16Sb6S26N12Fe2Cu16Sb6S26N12Fe2Cu16Sb6S26N12Fe2Cu16Sb6S26N12Fe2Cu16Sb6S26N12Fe2Cu16Sb6S26N12
_chemical_formula_sum "Fe12 Cu96 Sb36 S156 N72"
_cell_length_a 12.46461247
_cell_length_b 24.92922494
_cell_length_c 37.39383741
_cell_angle_alph... |
SuperCellAction | 8c3553f4-050a-4c44-8099-376dfba275d4 | mp-1342607 | Create a supercell with the size 4*2*1. | data_image0
_chemical_formula_structural Mg4Mo4O12
_chemical_formula_sum "Mg4 Mo4 O12"
_cell_length_a 5.279528
_cell_length_b 5.403173
_cell_length_c 7.850493
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gro... | data_image0
_chemical_formula_structural Mg4Mo4O12Mg4Mo4O12Mg4Mo4O12Mg4Mo4O12Mg4Mo4O12Mg4Mo4O12Mg4Mo4O12Mg4Mo4O12
_chemical_formula_sum "Mg32 Mo32 O96"
_cell_length_a 21.118112
_cell_length_b 10.806346
_cell_length_c 7.850493
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell... |
SuperCellAction | f22e3cfe-3abd-424c-99a1-81b2c57978df | mp-698063 | Create a supercell with the size 2×2×1. | data_image0
_chemical_formula_structural Na8P8H8O28
_chemical_formula_sum "Na8 P8 H8 O28"
_cell_length_a 15.21915904
_cell_length_b 14.31962318
_cell_length_c 7.11453153
_cell_angle_alpha 83.22265891
_cell_angle_beta 69.11852698
_cell_angle_gamma 27.658814109999998
_space... | data_image0
_chemical_formula_structural Na8P8H8O28Na8P8H8O28Na8P8H8O28Na8P8H8O28
_chemical_formula_sum "Na32 P32 H32 O112"
_cell_length_a 30.43831808
_cell_length_b 28.63924636
_cell_length_c 7.11453153
_cell_angle_alpha 83.22265891
_cell_angle_beta 69.11852698
_cell_angle_g... |
SuperCellAction | e17b1b51-25c5-4c7c-8e92-f4ea4aa3a2fa | mp-1030158 | Create a supercell with the size 2X1X4. | data_image0
_chemical_formula_structural Te4MoW3Se4
_chemical_formula_sum "Te4 Mo1 W3 Se4"
_cell_length_a 3.43838273
_cell_length_b 3.4383827300000003
_cell_length_c 39.190401
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.000014
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Te4MoW3Se4Te4MoW3Se4Te4MoW3Se4Te4MoW3Se4Te4MoW3Se4Te4MoW3Se4Te4MoW3Se4Te4MoW3Se4
_chemical_formula_sum "Te32 Mo8 W24 Se32"
_cell_length_a 6.87676546
_cell_length_b 3.4383827300000003
_cell_length_c 156.761604
_cell_angle_alpha 90.0
_cell_a... |
SuperCellAction | ec28acef-6ceb-4654-ac42-387387a053e2 | mp-1199851 | Create a supercell with the size 1×2×1. | data_image0
_chemical_formula_structural Er4C12O32
_chemical_formula_sum "Er4 C12 O32"
_cell_length_a 7.231529
_cell_length_b 8.885058
_cell_length_c 12.686882
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gr... | data_image0
_chemical_formula_structural Er4C12O32Er4C12O32
_chemical_formula_sum "Er8 C24 O64"
_cell_length_a 7.231529
_cell_length_b 17.770116
_cell_length_c 12.686882
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
SuperCellAction | d375a92b-ae29-4057-82a9-3ca28d7b76e1 | mp-39540 | Create a supercell with the size 2*2*1. | data_image0
_chemical_formula_structural CrSiH12O6F6
_chemical_formula_sum "Cr1 Si1 H12 O6 F6"
_cell_length_a 6.41852226
_cell_length_b 6.41852226
_cell_length_c 6.41852247
_cell_angle_alpha 96.91522922
_cell_angle_beta 96.91522922
_cell_angle_gamma 96.91521851
_space_gro... | data_image0
_chemical_formula_structural CrSiH12O6F6CrSiH12O6F6CrSiH12O6F6CrSiH12O6F6
_chemical_formula_sum "Cr4 Si4 H48 O24 F24"
_cell_length_a 12.83704452
_cell_length_b 12.83704452
_cell_length_c 6.41852247
_cell_angle_alpha 96.91522922
_cell_angle_beta 96.91522922
_cell_a... |
SuperCellAction | fc9367e0-c2af-4402-9185-157235456897 | mp-1095574 | Create a supercell with the size 2x3x1. | data_image0
_chemical_formula_structural Ce4Ga4Ag4
_chemical_formula_sum "Ce4 Ga4 Ag4"
_cell_length_a 4.682808
_cell_length_b 7.476301
_cell_length_c 7.790775
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gro... | data_image0
_chemical_formula_structural Ce4Ga4Ag4Ce4Ga4Ag4Ce4Ga4Ag4Ce4Ga4Ag4Ce4Ga4Ag4Ce4Ga4Ag4
_chemical_formula_sum "Ce24 Ga24 Ag24"
_cell_length_a 9.365616
_cell_length_b 22.428903000000002
_cell_length_c 7.790775
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_ga... |
SuperCellAction | 45225cd7-e191-4a2a-abed-b4c249a10c78 | mp-1021280 | Create a supercell with the size 1 by 2 by 3. | data_image0
_chemical_formula_structural Li2Mg12Bi2
_chemical_formula_sum "Li2 Mg12 Bi2"
_cell_length_a 5.117583
_cell_length_b 6.489678
_cell_length_c 11.17583
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_g... | data_image0
_chemical_formula_structural Li2Mg12Bi2Li2Mg12Bi2Li2Mg12Bi2Li2Mg12Bi2Li2Mg12Bi2Li2Mg12Bi2
_chemical_formula_sum "Li12 Mg72 Bi12"
_cell_length_a 5.117583
_cell_length_b 12.979356
_cell_length_c 33.52749
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma... |
SuperCellAction | e75ecd5d-d21c-4116-b3e2-2200c4611bd5 | mp-26267 | Create a supercell with the size 1 by 4 by 1. | data_image0
_chemical_formula_structural Li8Cu4P16O48
_chemical_formula_sum "Li8 Cu4 P16 O48"
_cell_length_a 9.431263
_cell_length_b 9.434133
_cell_length_c 10.133788
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... | data_image0
_chemical_formula_structural Li8Cu4P16O48Li8Cu4P16O48Li8Cu4P16O48Li8Cu4P16O48
_chemical_formula_sum "Li32 Cu16 P64 O192"
_cell_length_a 9.431263
_cell_length_b 37.736532
_cell_length_c 10.133788
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.... |
SuperCellAction | aabd43c0-c9f3-4711-a462-e3ae01747baf | mp-1224477 | Create a supercell with the size 1*3*1. | data_image0
_chemical_formula_structural H11IN2O6
_chemical_formula_sum "H11 I1 N2 O6"
_cell_length_a 5.540447
_cell_length_b 5.54602506
_cell_length_c 5.55388201
_cell_angle_alpha 77.76500148
_cell_angle_beta 77.61327356
_cell_angle_gamma 77.87890795
_space_group_name_H-... | data_image0
_chemical_formula_structural H11IN2O6H11IN2O6H11IN2O6
_chemical_formula_sum "H33 I3 N6 O18"
_cell_length_a 5.540447
_cell_length_b 16.63807518
_cell_length_c 5.55388201
_cell_angle_alpha 77.76500148
_cell_angle_beta 77.61327356
_cell_angle_gamma 77.87890795
_s... |
SuperCellAction | 8f992c81-8f4c-4911-920c-f7d83c706a40 | mp-1176707 | Create a supercell with the size 2*1*2. | data_image0
_chemical_formula_structural Li6Fe6F18
_chemical_formula_sum "Li6 Fe6 F18"
_cell_length_a 7.021042
_cell_length_b 7.236590739999999
_cell_length_c 7.87495474
_cell_angle_alpha 94.44735984
_cell_angle_beta 102.93816258
_cell_angle_gamma 90.0939888
_space_group_... | data_image0
_chemical_formula_structural Li6Fe6F18Li6Fe6F18Li6Fe6F18Li6Fe6F18
_chemical_formula_sum "Li24 Fe24 F72"
_cell_length_a 14.042084
_cell_length_b 7.236590739999999
_cell_length_c 15.74990948
_cell_angle_alpha 94.44735984
_cell_angle_beta 102.93816258
_cell_angle_gam... |
SuperCellAction | f4b4100a-37d3-4a20-86c5-453bd177788e | mp-29249 | Create a supercell with the size 1*2*3. | data_image0
_chemical_formula_structural Ge8As8Se8
_chemical_formula_sum "Ge8 As8 Se8"
_cell_length_a 5.08906544
_cell_length_b 10.25269405
_cell_length_c 12.41580532
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... | data_image0
_chemical_formula_structural Ge8As8Se8Ge8As8Se8Ge8As8Se8Ge8As8Se8Ge8As8Se8Ge8As8Se8
_chemical_formula_sum "Ge48 As48 Se48"
_cell_length_a 5.08906544
_cell_length_b 20.5053881
_cell_length_c 37.24741596
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma... |
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