Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.05 eV/Å threshold; final energy = -30.0532 eV; energy change = -0.2009 eV; symmetry: I4/mcm → I4/mcm
Created by route
Relax a crystal structure
template-CoSb2
CoSb2 phase diagram
Phase diagram of CoSb2 with Orb v3 conservative inf MPA; eabovehull: 0.286294 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