Fe6BiNiS (P-6m2) - relaxation animation 1

Name: Fe6BiNiS (P-6m2) - relaxation animation 1
Uploaded: 2025-08-07T10:32:17.542481+00:00
Description: Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -44.6110 eV; energy change = -0.0702 eV; symmetry: P-6m2 → P-6m2

Relax a crystal structure with animation

Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -44.6110 eV; energy change = -0.0702 eV; symmetry: P-6m2 → P-6m2

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11.82 KB

.mp4 file

ARR license

1 input asset

Fe6BiNiS (P-6m2)
.cif file
Fe6BiNiS (auto-selected space group: P-6m2 #187)
2mo

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Fe6BiNiS (P-6m2) - relaxation animation 1

Fe6BiNiS (P-6m2)