Crystallographic data | Sstructural stability [Footnotes] | Magnetic properties [Footnotes, magnetic units] | Methods | References | ||||||||||||||
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Materials ID | Formula | Formula units per cell | Atomic sites per cell | Crystal system | Space group [Number] | Formation energy (eV/atom) | Energy relative to convex hull (eV/atom) | Structure search | Averaged magnetic moment (μB/atom) | Magnetic polarization, Js (T) | Magnetic easy axis | Magnetic anisotropy constants: Ka-c, Kb-c, Kb-a, Kd-a (MJ/m3) |
Curie temperature, TC (K) | Methods | References | |||
MMD-89 | Fe5Co3N | 2 | 18 | tetragonal | I-4m2 [119] | -0.020 | 0.063 | AGA search | 1.91 | 2.03 | c | 1.09 | . | . | . | . | DFT | DOI link |
MMD-90 | Fe5Co3N | 1 | 9 | tetragonal | P4mm [99] | -0.017 | 0.065 | AGA search | 1.93 | 2.05 | c | 1.46 | . | . | . | . | DFT | DOI link |
MMD-92 | Fe5Co3N | 2 | 18 | tetragonal | P4/mmm [123] | -0.014 | 0.069 | AGA search | 1.88 | 2.01 | c | 2.08 | . | . | . | . | DFT | DOI link |
MMD-91 | Fe5Co3N | 2 | 18 | tetragonal | P4/nmm [129] | -0.015 | 0.067 | AGA search | 1.88 | 2.01 | c | 1.98 | . | . | . | . | DFT | DOI link |
MMD-386 | Fe5Co3N | 2 | 18 | tetragonal | I-4m2 [119] | -0.019 | 0.063 | AGA search | 1.90 | 2.03 | c | 1.11 | . | . | . | . | DFT | MS |
MMD-475 | Fe5Co3N | 2 | 18 | tetragonal | I-4m2 [119] | -0.020 | 0.063 | AGA search | 1.91 | 2.03 | c | 1.09 | . | . | . | . | DFT | MS |
MMD-375 | Fe5Co3N | 1 | 9 | tetragonal | P4mm [99] | -0.017 | 0.065 | AGA search | 1.93 | 2.05 | c | 1.46 | . | . | . | . | DFT | MS |
MMD-374 | Fe5Co3N | 2 | 18 | tetragonal | I-4m2 [119] | -0.020 | 0.063 | AGA search | 1.91 | 2.03 | c | 1.10 | . | . | . | . | DFT | MS |
MMD-389 | Fe5Co3N | 2 | 18 | tetragonal | P4_2/mmc [131] | -0.016 | 0.066 | AGA search | 1.93 | 2.02 | c | 1.30 | . | . | . | . | DFT | MS |
MMD-388 | Fe5Co3N | 2 | 18 | tetragonal | I-4m2 [119] | -0.018 | 0.065 | AGA search | 1.93 | 2.01 | c | 1.11 | . | . | . | . | DFT | MS |
MMD-390 | Fe5Co3N | 2 | 18 | tetragonal | P4/nmm [129] | -0.016 | 0.067 | AGA search | 1.93 | 2.01 | c | 0.90 | . | . | . | . | DFT | MS |
MMD-476 | Fe5Co3N | 1 | 9 | tetragonal | P4mm [99] | -0.017 | 0.065 | AGA search | 1.93 | 2.05 | c | 1.46 | . | . | . | . | DFT | MS |