Fe2CSBi (opus) - relaxed - 3x3x3 supercell
Supercell 3x3x3 of CBiFe4S
Fe2CSBi (opus) - relaxed
.cif fileRelaxed with Orb v3; 0.03 eV/Å threshold; final energy = -44.2005 eV
5mo
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Supercell 3x3x3 of CBiFe4S
Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -44.2005 eV