TiSeS.cif 4 - relaxed
Relaxed with Orb v3; 0.0 eV/Å threshold; final energy = -19.1109 eV; energy change = -0.0022 eV; symmetry: P3m1 → P3m1
TiSeS.cif 4
.cif file3mo
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Relaxed with Orb v3; 0.0 eV/Å threshold; final energy = -19.1109 eV; energy change = -0.0022 eV; symmetry: P3m1 → P3m1