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Table 2 Feature set with names and example values

From: A machine learning platform for the discovery of materials

Name

Example

Stoichiometry

Al3Li3O12Si3

Band Gap

4.8022

Density

2.25761

Energy

− 151.631

Energy per Atom

− 7.22053

Fermi energy

0.4748

Geometry A, B, C

5.296, 5.296, 11.448

Geometry \(\alpha\), \(\beta\), \(\gamma\)

90, 90, 120

Space group

181