gen_Bi1Fe1S1_6_1
gen_Bi1Fe1S1_6_1 - relaxed
.cif fileRelaxed with Orb v3; 0.03 eV/Å threshold; final energy = -33.4362 eV; energy change = -0.7170 eV; symmetry: P1 → Cm
3mo
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Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -33.4362 eV; energy change = -0.7170 eV; symmetry: P1 → Cm