Fe11CoSiGeAsP_SG8_n16atoms.cif 1 - 2x2x2 supercell - relaxed

Name: Fe11CoSiGeAsP_SG8_n16atoms.cif 1 - 2x2x2 supercell - relaxed
Creator: mmoderwell
License: https://en.wikipedia.org/wiki/All_rights_reserved

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.cif file

Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -970.5668 eV; energy change = -0.0002 eV; symmetry: Cm → Cm

ARR license

Relax a crystal structure

1 input asset

.cif file
Supercell 2x2x2 of Fe11CoSiGeAsP (Space group: Cm, 16 symmetry operations)
3mo

data

data

Fe11CoSiGeAsP_SG8_n16atoms.cif 1 - 2x2x2 supercell - relaxed