Fe4MnSiB2 (requested SG: P4/mmm #123, calculated SG: C2/m #12, optimized: 90 steps, cell relaxed (isotropic))
Fe4MnSiB2 (requested SG: P4/mmm #123, calculated SG: P1 #1, optimized: 203 steps, cell relaxed (isotropic))
Phase diagram of ZrFe10Si2N; eabovehull: 0.332351 eV/atom; predicted_stable: False
Phase diagram of ZrFe10Si2N; eabovehull: 0.887248 eV/atom; predicted_stable: False
ZrFe10Si2N (requested SG: P4/mmm #123, calculated SG: Pm #6, optimized: 135 steps, cell relaxed (isotropic))
ZrFe10Si2N (requested SG: P4/mmm #123, calculated SG: P1 #1, optimized: 172 steps, cell relaxed (isotropic))
MatterGen generated VFe2Co crystal (space group: Pm #6, crystal system: monoclinic)
Chemeleon generated VFeCo crystal (space group: P1 #1, crystal system: triclinic, point group: 1) (missed requested crystal system: tetragonal) (missed expected composition: FeCoV)
Fe16Co4Ge4B8 (requested SG: I4/mcm #140, calculated SG: Cm #8, optimized: 400 steps, cell relaxed (isotropic))
Phase diagram of Fe6SnGeN2; eabovehull: 0.167325 eV/atom; predicted_stable: False
Cell + Ionic relaxation with Orb v3; 0.03 eV/Å threshold; final energy = -75.2585 eV; energy change = -92.6044 eV; symmetry: P4/mmm → P4mm
Fe6SnGeN2 (space group: P4/mmm #123, crystal system: tetragonal, point group: 4/mmm)
Phase diagram of Fe6SnGeN2; eabovehull: 0.066858 eV/atom; predicted_stable: False
Fe6SnGeN2 (requested SG: P4/mmm #123, calculated SG: P1 #1, optimized: 93 steps, cell relaxed (isotropic))
Fe6SnGeN2 (requested space group: P4/mmm #123, optimized: 34 steps, cell relaxed (isotropic))
Phase diagram of CrFe9(B2P)2; eabovehull: 0.498040 eV/atom; predicted_stable: False
Phase diagram of CrFe9(B2P)2; eabovehull: 0.376558 eV/atom; predicted_stable: False
Fe9Cr1B4P2 (requested SG: P-62m #189, calculated SG: P1 #1, optimized: 173 steps, cell relaxed (isotropic))
Fe9Cr1B4P2 (requested SG: P-62m #189, calculated SG: P1 #1, optimized: 104 steps, cell relaxed (isotropic))
Phase diagram of Fe17Mo3N14; eabovehull: 0.238593 eV/atom; predicted_stable: False