Mn16Bi2 (requested SG: Pbam #55, calculated SG: I4/mmm #139, optimized: 357 steps, cell relaxed (isotropic))
Mn16Bi2 (requested SG: Pbam #55, calculated SG: P1 #1, optimized: 157 steps, cell relaxed (isotropic))
Phase diagram of Fe8BMo2; eabovehull: 0.203761 eV/atom; predicted_stable: False
Phase diagram of Fe8BMo2; eabovehull: 0.156956 eV/atom; predicted_stable: False
Phase diagram of Fe8BMo2; eabovehull: 0.229564 eV/atom; predicted_stable: False
Phase diagram of Fe8BMo2; eabovehull: 0.185625 eV/atom; predicted_stable: False
Phase diagram of Fe8BMo2; eabovehull: 0.151401 eV/atom; predicted_stable: False
Phase diagram of Fe8BMo2; eabovehull: 0.156967 eV/atom; predicted_stable: False
Phase diagram of Fe8BMo2; eabovehull: 0.154287 eV/atom; predicted_stable: False
Fe16Mo4B2 (requested SG: Pban #50, calculated SG: P1 #1, optimized: 183 steps, cell relaxed (isotropic))
Fe16Mo4B2 (requested SG: Pban #50, calculated SG: P1 #1, optimized: 130 steps, cell relaxed (isotropic))
Fe16Mo4B2 (requested SG: Pban #50, calculated SG: C2 #5, optimized: 96 steps, cell relaxed (isotropic))
Fe16Mo4B2 (requested SG: Pban #50, calculated SG: P1 #1, optimized: 400 steps, cell relaxed (isotropic))
Fe16Mo4B2 (requested SG: Pban #50, calculated SG: Cm #8, optimized: 93 steps, cell relaxed (isotropic))
Fe16Mo4B2 (requested SG: Pban #50, calculated SG: C2 #5, optimized: 82 steps, cell relaxed (isotropic))
Fe16Mo4B2 (requested SG: Pban #50, calculated SG: P1 #1, optimized: 314 steps, cell relaxed (isotropic))
Phase diagram of Fe15Co6BN; eabovehull: 0.227484 eV/atom; predicted_stable: False
Fe15Co6B1N1 (requested SG: P4/mmm #123, calculated SG: P1 #1, optimized: 265 steps, cell relaxed (isotropic))
Phase diagram of Fe9Co2BN; eabovehull: 0.279302 eV/atom; predicted_stable: False
Fe18Co4B2N2 (requested SG: Immm #71, calculated SG: P1 #1, optimized: 174 steps, cell relaxed (isotropic))