@mmoderwell

Phase diagram of Mn12Fe7Bi; eabovehull: 0.130156 eV/atom; predicted_stable: False

Ggen chemical family search

Supercell 2x2x2 of MnFe4Ni (Space group: P-43m, 192 symmetry operations)

Ggen testing

Supercell 2x2x2 of MnFe4Ni (Space group: P3m1, 48 symmetry operations)

ggen testing

Supercell 3x3x3 of FeBiO3 (Space group: R3c, 486 symmetry operations)

Phase diagram of Fe13Sb3N2; eabovehull: 0.162266 eV/atom; predicted_stable: False

Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å); no imaginary modes; min freq = -0.04 THz

Fe13Sb3N2 (requested SG: P4mm #99, calculated SG: P1 #1, optimized: 400 steps, cell relaxed (isotropic))

Phase diagram of Fe16BiN2; eabovehull: 0.305757 eV/atom; predicted_stable: False

Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å); no imaginary modes; min freq = -0.04 THz

Fe16N2Bi (requested SG: P-42m #111, calculated SG: P1 #1, optimized: 182 steps, cell relaxed (isotropic))

MatterGen generated Fe7B4W5 crystal (space group: Pm #6, crystal system: monoclinic)

MatterGen generated Fe(BW)2 crystal (space group: P2_1/m #11, crystal system: monoclinic)

MatterGen generated Fe3B5W crystal (space group: P1 #1, crystal system: triclinic)

Supercell 3x3x3 of MnFe3Co (Space group: Cm, 108 symmetry operations)

Standalone, embeddable HTML with MatterViz Trajectory viewer

Phase diagram of MnFe3Co; eabovehull: 0.224780 eV/atom; predicted_stable: False

Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å); imaginary modes detected; min freq = -1.79 THz