Jul 29

Fe2TiSi_L21.cif - relaxed 1

Overview

Created by route

Relax a crystal structure

77

Lattice a, b, c

5.711 Å, 5.711 Å, 5.711 Å

Angles α, β, γ

90.00°, 90.00°, 90.00°

Volume

186.23 Å³

Density

6.69 g/cm³

1

ActionsTools that work with this file

Cell + Ionic relaxation with CHGNet; 0.03 eV/Å threshold; final energy = -129.9023 eV; energy change = -0.6784 eV; symmetry: Fm-3m → Fm-3m

7

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46

1

ActionsTools that work with this file

Created by route

Relax a crystal structure