Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.05 eV/Å threshold; final energy = -192.3095 eV; energy change = -0.0799 eV; symmetry: P6_3mc → P6_3mc
Created by route
Relax a crystal structure
template-Mn2Mo3O8
Mn2Mo3O8 phase diagram
Phase diagram of Mn2Mo3O8 with Orb v3 conservative inf MPA; eabovehull: 0.274365 eV/atom; predicted_stable: False
CIF calculated properties
Long-form calculated properties extracted from successful route actions that used each CIF as an input. Columns fileid / actionid / route_id are Ouro references.
/materials/structure/relax
/materials/thermo/ehull
/magnetism/curie-temperature