Crystallographic data | Sstructural stability [Footnotes] | Magnetic properties [Footnotes, magnetic units] | Methods | References | ||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
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-9 | FeCo2N | 4 | 16 | orthorhombic | Amm2 [38] | 0.040 | 0.107 | AGA search | 1.14 | 1.33 | c | 1.64 | 2.17 | 0.53 | . | . | DFT | DOI link |
MMD-35 | FeCo4N | 4 | 24 | orthorhombic | Amm2 [38] | 0.025 | 0.070 | AGA search | 1.39 | 1.56 | c | 0.99 | 1.02 | 0.03 | . | . | DFT | DOI link |
MMD-34 | FeCo4N | 4 | 24 | orthorhombic | Amm2 [38] | 0.014 | 0.058 | AGA search | 1.41 | 1.57 | c | 1.09 | 0.92 | -0.17 | . | . | DFT | DOI link |
MMD-39 | Fe2Co3N | 4 | 24 | orthorhombic | Amm2 [38] | -0.009 | 0.058 | AGA search | 1.51 | 1.67 | c | 1.39 | 1.89 | 0.49 | . | . | DFT | DOI link |
MMD-15 | Fe2CoN | 4 | 16 | orthorhombic | Amm2 [38] | -0.002 | 0.099 | AGA search | 1.40 | 1.62 | c | 2.02 | 2.02 | -0.00 | . | . | DFT | DOI link |
MMD-40 | Fe2Co3N | 4 | 24 | orthorhombic | Amm2 [38] | -0.009 | 0.058 | AGA search | 1.53 | 1.68 | c | 1.18 | 1.48 | 0.30 | . | . | DFT | DOI link |
MMD-43 | Fe3Co2N | 4 | 24 | orthorhombic | Amm2 [38] | -0.014 | 0.076 | AGA search | 1.61 | 1.78 | c | 1.65 | 1.48 | -0.17 | . | . | DFT | DOI link |
MMD-46 | Fe4CoN | 2 | 12 | orthorhombic | Amm2 [38] | -0.014 | 0.064 | AGA search | 1.83 | 1.98 | c | 0.89 | 0.88 | -0.01 | . | . | DFT | DOI link |
MMD-17 | Fe5CoN2 | 2 | 16 | orthorhombic | Amm2 [38] | -0.015 | 0.077 | AGA search | 1.49 | 1.73 | c | 1.47 | 2.56 | 1.09 | . | . | DFT | DOI link |
MMD-37 | Fe2Co3N | 4 | 24 | orthorhombic | Amm2 [38] | -0.012 | 0.055 | AGA search | 1.52 | 1.68 | c | 1.40 | 1.24 | -0.16 | . | . | DFT | DOI link |
MMD-12 | Fe3Co3N2 | 2 | 16 | orthorhombic | Amm2 [38] | 0.012 | 0.096 | AGA search | 1.37 | 1.59 | c | 2.21 | 2.14 | -0.08 | . | . | DFT | DOI link |
MMD-11 | Fe3Co3N2 | 2 | 16 | orthorhombic | Amm2 [38] | 0.009 | 0.093 | AGA search | 1.20 | 1.40 | c | 2.16 | 2.02 | -0.15 | . | . | DFT | DOI link |
MMD-47 | Fe4CoN | 4 | 24 | orthorhombic | Amm2 [38] | -0.013 | 0.065 | AGA search | 1.83 | 1.97 | c | 1.47 | 1.40 | -0.07 | . | . | DFT | DOI link |
MMD-38 | Fe2Co3N | 4 | 24 | orthorhombic | Amm2 [38] | -0.010 | 0.057 | AGA search | 1.52 | 1.68 | c | 1.31 | 1.47 | 0.15 | . | . | DFT | DOI link |
MMD-41 | Fe2Co3N | 4 | 24 | orthorhombic | Amm2 [38] | -0.008 | 0.059 | AGA search | 1.51 | 1.67 | c | 1.39 | 1.67 | 0.28 | . | . | DFT | DOI link |
MMD-45 | Fe4CoN | 4 | 24 | orthorhombic | Amm2 [38] | -0.018 | 0.060 | AGA search | 1.85 | 1.99 | c | 1.12 | 1.15 | 0.04 | . | . | DFT | DOI link |
MMD-5 | FeCo5N2 | 2 | 16 | orthorhombic | Amm2 [38] | 0.063 | 0.096 | AGA search | 1.06 | 1.25 | c | 0.63 | 1.35 | 0.71 | . | . | DFT | DOI link |
MMD-42 | Fe3Co2N | 4 | 24 | orthorhombic | Amm2 [38] | -0.018 | 0.071 | AGA search | 1.57 | 1.74 | c | 0.90 | 1.09 | 0.18 | . | . | DFT | DOI link |
MMD-44 | Fe3Co2N | 4 | 24 | orthorhombic | Amm2 [38] | -0.014 | 0.076 | AGA search | 1.60 | 1.77 | c | 0.88 | 1.05 | 0.17 | . | . | DFT | DOI link |
MMD-68 | Fe3Co4N | 4 | 32 | orthorhombic | Amm2 [38] | -0.007 | 0.060 | AGA search | 1.70 | 1.84 | c | 1.84 | 1.79 | -0.06 | . | . | DFT | DOI link |
MMD-64 | Fe2Co5N | 4 | 32 | orthorhombic | Amm2 [38] | 0.004 | 0.054 | AGA search | 1.58 | 1.73 | c | 1.56 | 1.73 | 0.17 | . | . | DFT | DOI link |
MMD-77 | Fe6CoN | 4 | 32 | orthorhombic | Amm2 [38] | -0.018 | 0.041 | AGA search | 1.98 | 2.12 | c | 0.73 | 0.63 | -0.09 | . | . | DFT | DOI link |
MMD-70 | Fe4Co3N | 2 | 16 | orthorhombic | Amm2 [38] | -0.017 | 0.067 | AGA search | 1.80 | 1.94 | c | 1.51 | 1.52 | 0.01 | . | . | DFT | DOI link |
MMD-73 | Fe5Co2N | 4 | 32 | orthorhombic | Amm2 [38] | -0.024 | 0.056 | AGA search | 1.95 | 2.09 | c | 0.83 | 0.78 | -0.05 | . | . | DFT | DOI link |
MMD-75 | Fe5Co2N | 4 | 32 | orthorhombic | Amm2 [38] | -0.020 | 0.060 | AGA search | 1.91 | 2.05 | c | 1.46 | 1.40 | -0.06 | . | . | DFT | DOI link |
MMD-78 | Fe6CoN | 4 | 32 | orthorhombic | Amm2 [38] | -0.017 | 0.043 | AGA search | 1.98 | 2.10 | c | 1.12 | 1.13 | 0.01 | . | . | DFT | DOI link |
MMD-76 | Fe6CoN | 4 | 32 | orthorhombic | Amm2 [38] | -0.024 | 0.036 | AGA search | 2.04 | 2.17 | c | 0.23 | 0.11 | -0.12 | . | . | DFT | DOI link |
MMD-61 | FeCo6N | 4 | 32 | orthorhombic | Amm2 [38] | 0.019 | 0.052 | AGA search | 1.49 | 1.65 | c | 0.18 | 0.23 | 0.05 | . | . | DFT | DOI link |
MMD-69 | Fe4Co3N | 4 | 32 | orthorhombic | Amm2 [38] | -0.018 | 0.067 | AGA search | 1.84 | 1.99 | c | 1.61 | 1.56 | -0.05 | . | . | DFT | DOI link |
MMD-72 | Fe4Co3N | 4 | 32 | orthorhombic | Amm2 [38] | -0.014 | 0.070 | AGA search | 1.82 | 1.96 | c | 1.74 | 1.72 | -0.02 | . | . | DFT | DOI link |
MMD-71 | Fe4Co3N | 4 | 32 | orthorhombic | Amm2 [38] | -0.016 | 0.068 | AGA search | 1.82 | 1.96 | c | 1.49 | 1.50 | 0.01 | . | . | DFT | DOI link |
MMD-65 | Fe3Co4N | 4 | 32 | orthorhombic | Amm2 [38] | -0.007 | 0.060 | AGA search | 1.61 | 1.75 | c | 0.35 | 0.47 | 0.13 | . | . | DFT | DOI link |
MMD-67 | Fe3Co4N | 4 | 32 | orthorhombic | Amm2 [38] | -0.005 | 0.062 | AGA search | 1.63 | 1.78 | c | 1.89 | 1.78 | -0.11 | . | . | DFT | DOI link |
MMD-66 | Fe3Co4N | 4 | 32 | orthorhombic | Amm2 [38] | -0.007 | 0.061 | AGA search | 1.65 | 1.79 | c | 1.35 | 1.39 | 0.04 | . | . | DFT | DOI link |
MMD-74 | Fe5Co2N | 2 | 16 | orthorhombic | Amm2 [38] | -0.023 | 0.056 | AGA search | 1.96 | 2.08 | c | 1.22 | 1.13 | -0.09 | . | . | DFT | DOI link |
MMD-431 | Fe2Co3N | 4 | 24 | orthorhombic | Amm2 [38] | -0.010 | 0.057 | AGA search | 1.52 | 1.68 | c | 1.28 | 1.46 | 0.18 | . | . | DFT | MS |
MMD-432 | Fe2Co3N | 4 | 24 | orthorhombic | Amm2 [38] | -0.009 | 0.058 | AGA search | 1.51 | 1.67 | c | 1.39 | 1.89 | 0.49 | . | . | DFT | MS |
MMD-435 | Fe2Co3N | 4 | 24 | orthorhombic | Amm2 [38] | -0.006 | 0.061 | AGA search | 1.53 | 1.69 | c | 0.59 | 0.47 | -0.12 | . | . | DFT | MS |
MMD-424 | FeCo4N | 4 | 24 | orthorhombic | Amm2 [38] | 0.017 | 0.061 | AGA search | 1.41 | 1.57 | c | 0.36 | 0.30 | -0.06 | . | . | DFT | MS |
MMD-426 | FeCo4N | 4 | 24 | orthorhombic | Amm2 [38] | 0.017 | 0.061 | AGA search | 1.41 | 1.58 | c | 0.35 | 0.32 | -0.03 | . | . | DFT | MS |
MMD-465 | Fe6CoN | 4 | 32 | orthorhombic | Amm2 [38] | -0.024 | 0.036 | AGA search | 2.04 | 2.17 | c | 0.20 | 0.09 | -0.12 | . | . | DFT | MS |
MMD-434 | Fe2Co3N | 4 | 24 | orthorhombic | Amm2 [38] | -0.008 | 0.059 | AGA search | 1.51 | 1.67 | c | 1.39 | 1.67 | 0.28 | . | . | DFT | MS |
MMD-438 | Fe3Co2N | 4 | 24 | orthorhombic | Amm2 [38] | -0.017 | 0.073 | AGA search | 1.60 | 1.76 | c | 0.81 | 1.07 | 0.26 | . | . | DFT | MS |
MMD-358 | Fe4CoN | 4 | 24 | orthorhombic | Amm2 [38] | -0.018 | 0.060 | AGA search | 1.85 | 1.99 | c | 1.11 | 1.15 | 0.03 | . | . | DFT | MS |
MMD-368 | Fe4Co3N | 4 | 32 | orthorhombic | Amm2 [38] | 0.004 | 0.088 | AGA search | 1.65 | 1.83 | c | 1.96 | 1.87 | -0.08 | . | . | DFT | MS |
MMD-151 | Fe3Ni3B2 | 2 | 16 | orthorhombic | Amm2 [38] | 0.019 | . | AGA search | 0.63 | 0.76 | c | 0.62 | 0.51 | -0.10 | . | . | DFT | MS |
MMD-430 | Fe2Co3N | 4 | 24 | orthorhombic | Amm2 [38] | -0.010 | 0.057 | AGA search | 1.52 | 1.68 | c | 1.28 | 1.46 | 0.18 | . | . | DFT | MS |
MMD-442 | Fe3Co2N | 4 | 24 | orthorhombic | Amm2 [38] | -0.011 | 0.079 | AGA search | 1.63 | 1.80 | c | 1.15 | 1.12 | -0.03 | . | . | DFT | MS |
MMD-440 | Fe3Co2N | 4 | 24 | orthorhombic | Amm2 [38] | -0.013 | 0.076 | AGA search | 1.63 | 1.79 | c | 0.49 | 0.94 | 0.44 | . | . | DFT | MS |
MMD-443 | Fe4CoN | 4 | 24 | orthorhombic | Amm2 [38] | -0.018 | 0.060 | AGA search | 1.85 | 1.99 | c | 1.12 | 1.15 | 0.03 | . | . | DFT | MS |