Jul 29

Fe2VAl_L21.cif - relaxed 2

Overview

Created by route

Relax a crystal structure

1010

Lattice a, b, c

5.724 Å, 5.724 Å, 5.724 Å

Angles α, β, γ

90.00°, 90.00°, 90.00°

Volume

187.59 Å³

Density

6.71 g/cm³

1

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Cell + Ionic relaxation with MACE-MP medium; 0.03 eV/Å threshold; final energy = -124.6364 eV; energy change = -0.0429 eV; symmetry: Fm-3m → Fm-3m

10

46

Created by route

Relax a crystal structure

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