Data description

The data consists of 4,165 ABO3 perovskite-type oxides. Each observation is described by 13 feature columns and 1 class column which identifies it to be either a cubic, tetragonal, orthorhombic, and rhombohedral structure.

v(A) - Valence of A
v(B) - Valence of B
Radius A (r(A)) - ionic radius of A cation
Radius B (r(B)) - ionic radius of B cation
Electronegativity of A (EN(A)) - Average electronegativity value of A cation
Electronegativity of B (EN(B)) - Average electronegativity value of B cation
l(A-O) - Bond length of A-O pair
l(B-O) - Bond length of B-O pair
ΔENR - Electronegativity difference with radius
tG - Goldschmidt tolerance factor
τ New tolerance factor
Μ - Octahedral factor

Source / Credits:

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Tables

Test

@kaggle.meetnagadia_crystal_structure_dataset.test

60.71 KB
1786 rows
13 columns


CREATE TABLE test (
  "v_a" BIGINT,
  "v_b" BIGINT,
  "r_axii" DOUBLE,
  "r_avi" DOUBLE,
  "r_bvi" DOUBLE,
  "en_a" DOUBLE,
  "en_b" DOUBLE,
  "l_a_o" DOUBLE,
  "l_b_o" DOUBLE,
  "n__enr" DOUBLE,
  "tg" DOUBLE,
  "n" DOUBLE,
  "n_02e762" DOUBLE
);

Train

@kaggle.meetnagadia_crystal_structure_dataset.train

116.14 KB
4165 rows
14 columns


CREATE TABLE train (
  "v_a" BIGINT,
  "v_b" BIGINT,
  "r_axii" DOUBLE,
  "r_avi" DOUBLE,
  "r_bvi" DOUBLE,
  "en_a" DOUBLE,
  "en_b" DOUBLE,
  "l_a_o" DOUBLE,
  "l_b_o" DOUBLE,
  "n__enr" DOUBLE,
  "tg" DOUBLE,
  "n" DOUBLE,
  "n_02e762" DOUBLE,
  "lowest_distortion" VARCHAR
);