Fe10Co(SnSb)2 (P4mm) - relaxed
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -101.1385 eV; energy change = -98.3118 eV; symmetry: P4mm → P4mm
Fe10Co(SnSb)2 (P4mm)
.cif fileFe11CoSn2Sb2 (space group: P4mm #99, crystal system: tetragonal, point group: 4mm) (missed expected composition: Fe11CoSn2Sb2)
2moCell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -101.2530 eV; energy change = -0.1154 eV; symmetry: P4mm → Pm
2mo
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