Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.05 eV/Å threshold; final energy = -32.2763 eV; energy change = 0.0000 eV; symmetry: I-42m → I-42m
Created by route
Relax a crystal structure
template-MnTl2SnTe4
MnTl2SnTe4 phase diagram
Phase diagram of MnTl2SnTe4 with Orb v3 conservative inf MPA; eabovehull: 0.004252 eV/atom; predicted_stable: True
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