Column explanation for file anno_train and anno_val dataset
I'm trying to understand the crystalSys column, which uses numerical labels from 0 to 6. Can anyone clarify which number corresponds to which crystal system (cubic, monoclinic, tetragonal, etc.)? The documentation doesn't seem to mention this.
However, based on this image, I observed that in the dataset from file D2, one of the formulas was found to have a crystal system labeled numerically as 1. According to the GitHub repository, this is described as hexagonal; however, when examining the parameters a, b, c, alpha, beta, and gamma, it appears to fall under the tetragonal crystal system. I kindly request assistance in clarifying this matter.
Thank you.
The No. is the encoding of the crystal. You can verify them using the same method according to Table 1.