TiS2 1T-phase CIF (Cycle 20) - 4x4x1 supercell - relaxation animation

Name: TiS2 1T-phase CIF (Cycle 20) - 4x4x1 supercell - relaxation animation
Uploaded: 2026-07-14T14:19:07.90121+00:00
Description: Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.03 eV/Å threshold; final energy = -241.4119 eV; energy change = -7.2584 eV; symmetry: P3m1 → P3m1

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Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.03 eV/Å threshold; final energy = -241.4119 eV; energy change = -7.2584 eV; symmetry: P3m1 → P3m1

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Supercell 4x4x1 of TiS2 (Space group: P3m1, 96 symmetry operations), vacuum 20.0 Å along axis 2
3h
.cif

Relax a crystal structure with animation

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TiS2 1T-phase CIF (Cycle 20) - 4x4x1 supercell - relaxation animation

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TiS2 1T-phase CIF (Cycle 20) - 4x4x1 supercell