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Fe-Bi-S gen_10 - relaxed · Files on Ouro

20d

Fe-Bi-S gen_10 - relaxed

Relaxed with Orb v3; 0.03 eV/Å threshold; final energy = -42.9355 eV; energy change = -0.1362 eV; symmetry: P2_1/m → P2_1/m

926.00 B

.cif file

1 input asset

Fe-Bi-S gen_10
.cif file
20d

2 derivative assets

Fe-Bi-S gen_10 - relaxed - 4x4x4 supercell
.cif file
Supercell 4x4x4 of FeBiS2 (Space group: P2_1/m, 256 symmetry operations)
20d
Fe-Bi-S gen_10 - relaxed - 2x2x2 supercell
.cif file
Supercell 2x2x2 of FeBiS2 (Space group: P2_1/m, 32 symmetry operations)
20d

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