Fe10Co4N2B1W1 (requested SG: P4/mmm #123, calculated SG: P1 #1, optimized: 194 steps, cell relaxed (isotropic))
Fe10Co4N2B1W1 (requested SG: P4/mmm #123, calculated SG: P1 #1, optimized: 242 steps, cell relaxed (isotropic))
Phase diagram of Fe3CoSiB2W; eabovehull: 0.388273 eV/atom; predicted_stable: False
Phase diagram of Fe3CoSiB2W; eabovehull: 0.356629 eV/atom; predicted_stable: False
Phase diagram of Fe3CoSiB2W; eabovehull: 0.446690 eV/atom; predicted_stable: False
Phase diagram of Fe3CoSiB2W; eabovehull: 0.825150 eV/atom; predicted_stable: False
Fe3CoWSiB2 (requested SG: P4mm #99, calculated SG: P1 #1, optimized: 190 steps, cell relaxed (isotropic))
Fe3CoWSiB2 (requested SG: P4mm #99, calculated SG: Cm #8, optimized: 76 steps, cell relaxed (isotropic))
Fe3CoWSiB2 (requested space group: P4mm #99, optimized: 61 steps, cell relaxed (isotropic))
Fe3CoWSiB2 (requested space group: P4mm #99, optimized: 24 steps, cell relaxed (isotropic))
Fe16Mo4N2 (requested SG: P222 #16, calculated SG: P1 #1, optimized: 152 steps, cell relaxed (isotropic))
Fe16Mo4N2 (requested SG: P222 #16, calculated SG: P1 #1, optimized: 118 steps, cell relaxed (isotropic))
Fe16Mo4N2 (requested SG: P222 #16, calculated SG: P1 #1, optimized: 203 steps, cell relaxed (isotropic))
Fe16Mo4N2 (requested SG: P222 #16, calculated SG: P1 #1, optimized: 287 steps, cell relaxed (isotropic))
Phase diagram of Mn8Bi; eabovehull: 0.232590 eV/atom; predicted_stable: False
Phase diagram of Mn8Bi; eabovehull: 0.291774 eV/atom; predicted_stable: False
Phase diagram of Mn8Bi; eabovehull: 0.195167 eV/atom; predicted_stable: False
Phase diagram of Mn8Bi; eabovehull: 0.284257 eV/atom; predicted_stable: False
Mn16Bi2 (requested SG: Pbam #55, calculated SG: P1 #1, optimized: 400 steps, cell relaxed (isotropic))
Mn16Bi2 (requested SG: Pbam #55, calculated SG: Fmm2 #42, optimized: 129 steps, cell relaxed (isotropic))