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-32 | Fe7CoN2 | 1 | 10 | tetragonal | P4/mmm [123] | -0.037 | 0.037 | AGA search | 1.87 | 2.01 | c | 0.85 | . | . | . | . | DFT | DOI link |
MMD-33 | Fe7CoN2 | 2 | 20 | tetragonal | I4mm [107] | -0.032 | 0.042 | AGA search | 1.83 | 2.00 | c | 0.88 | . | . | . | . | DFT | DOI link |
MMD-347 | Fe7CoN2 | 2 | 20 | tetragonal | I4/mmm [139] | -0.033 | 0.041 | AGA search | 1.81 | 1.98 | ab plane | -0.11 | . | . | . | . | DFT | MS |
MMD-420 | Fe7CoN2 | 2 | 20 | tetragonal | I4mm [107] | -0.032 | 0.042 | AGA search | 1.83 | 2.00 | c | 0.88 | . | . | . | . | DFT | MS |
MMD-346 | Fe7CoN2 | 1 | 10 | tetragonal | P4/mmm [123] | -0.037 | 0.037 | AGA search | 1.87 | 2.01 | c | 0.85 | . | . | . | . | DFT | MS |
MMD-421 | Fe7CoN2 | 1 | 10 | triclinic | P1 [1] | -0.030 | 0.044 | AGA search | 1.51 | 1.71 | . | . | . | . | . | . | DFT | MS |
MMD-422 | Fe7CoN2 | 1 | 10 | tetragonal | P4/mmm [123] | -0.029 | 0.045 | AGA search | 1.88 | 2.02 | ab plane | -0.35 | . | . | . | . | DFT | MS |
MMD-419 | Fe7CoN2 | 1 | 10 | tetragonal | P4/mmm [123] | -0.037 | 0.037 | AGA search | 1.87 | 2.01 | c | 0.85 | . | . | . | . | DFT | MS |