ICSD-anchored CIF for Mn2Sb (Cu2Sb-type, P4/nmm). Z=2. Lattice: a=4.180Å c=7.020Å c/a≈1.68. Validation gates: γ=120°(90° tetragonal), c/a≈1.68, Z=2, stoichiometry Mn2Sb satisfied.
Supercell 3x3x3 of FePt (Space group: R-3m, 324 symmetry operations)
Phase diagram of FePt; eabovehull: 0.111852 eV/atom; predicted_stable: False
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -14.7442 eV; energy change = -3.5701 eV; symmetry: C2/m → R-3m
Crystal structure CIF fetched from Materials Project for mp-149
Crystal structure CIF fetched from Materials Project for mp-149
Crystal structure CIF fetched from Materials Project for mp-149
Crystal structure CIF fetched from Materials Project for mp-149
Crystal structure CIF fetched from Materials Project for mp-149
Crystal structure CIF fetched from Materials Project for mp-149
Crystal structure CIF fetched from Materials Project for mp-149
Crystal structure CIF fetched from Materials Project for mp-149
Crystal structure CIF fetched from Materials Project for mp-149
Crystal structure CIF fetched from Materials Project for mp-149
MgB2 CIF for NEMAD Tc calibration benchmark (superconductor sanity check, exp Tc=39K)
FeSe CIF for NEMAD Tc calibration benchmark (superconductor sanity check, exp Tc=8K)
NbSe2 CIF for NEMAD Tc calibration benchmark (superconductor sanity check, exp Tc=7.2K)
Co2FeSi Heusler CIF for NEMAD Tc calibration benchmark (exp Tc=1100K)
Co2MnGe Heusler CIF for NEMAD Tc calibration benchmark (exp Tc=905K)
Co2MnSi Heusler CIF for NEMAD Tc calibration benchmark (exp Tc=985K)