Ba2MnNiO6 (Ba21Mn8Ni8O55, 92 sites) — GPSK-01 - energy curve

Name: Ba2MnNiO6 (Ba21Mn8Ni8O55, 92 sites) — GPSK-01 - energy curve
Creator: mmoderwell
License: https://en.wikipedia.org/wiki/All_rights_reserved

No compatible actions for files yet

17.8 KB

.html file

Energy vs. step; Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -526.0651 eV; ΔE = -223.3048 eV; symmetry: P1 → P1

ARR license

data

data

Ba2MnNiO6 (Ba21Mn8Ni8O55, 92 sites) — GPSK-01 - energy curve