# Source: crystal_structure_classification
**Category:** science_engineering
**README generated:** 2025-10-02 12:52:18Z

## Source URL(s)
- https://www.kaggle.com/datasets/sayansh001/crystal-structure-classification

## Citation(s)
- Thomas, Tiju; Behara, Santosh; Poonawala, Taher (2020), “Data for: Crystal structure classification in ABO3 perovskites via machine learning”, Mendeley Data, V1, doi: 10.17632/dfsf6n6g7y.1

## Variables (X → Y)
- EN(EN(A),EN(B)) → tG
- EN(EN(A),EN(B)) → ΔENR
- EN(B) → μ
- l(l(A-O)(Å),l(B-O)(Å)) → tG
- l(l(A-O)(Å),l(B-O)(Å)) → ΔENR
- l(B-O)(Å) → μ
- r(r(AVI)(Å),r(BVI)(Å)) → tG
- r(r(AVI)(Å),r(BVI)(Å)) → ΔENR
- r(BVI)(Å) → μ

## Causal reasoning

This dataset focuses on a specific type of molecules. The causes are features of specific atoms or regions of the molecule whilst the effects are concern with quantities computed from these previous features, which reflect properties of the entire molecule.