Table 6. Single gas (CO2 or H2) adsorption performance of MXene structures having long interlayer distance at 35ºC and 0.1, 1, and 10 bar.
MXene | CO2/H2 Selectivity | %R | APS | ||
1 bar 250°C | PSA | VSA | PSA | VSA | |
(CrV)3C2 | 5.22 | 90.91 | 90.12 | 3.049 | 0.246 |
(Mo0.66Y0.33)2CO2 | 3.09 | 90.79 | 90.14 | 0.849 | 0.071 |
(TiV)3C2 | 5.02 | 90.61 | 90.05 | 3.079 | 0.267 |
(TiV)C(OH)2 | 4.03 | 91.24 | 90.13 | 1.963 | 0.146 |
(TiV)CF2 | 2.94 | 90.74 | 90.07 | 1.205 | 0.101 |
(TiV)CO2 | 3.12 | 90.84 | 90.19 | 1.300 | 0.107 |
(W0.66Y0.33)2CO2 | 4.38 | 91.02 | 90.16 | 1.082 | 0.086 |
Cr2C | 2.65 | 90.66 | 90.08 | 1.303 | 0.111 |
Cr2C(OH)2 | 3.65 | 91.12 | 90.12 | 1.495 | 0.116 |
Cr2CBr2 | 14.05 | 94.33 | 90.45 | 18.592 | 0.554 |
Cr2CCl2 | 10.43 | 93.56 | 90.36 | 14.111 | 0.555 |
Cr2CF2 | 2.60 | 90.75 | 90.09 | 0.833 | 0.071 |
Cr2CFCl | 4.00 | 91.03 | 90.09 | 1.879 | 0.148 |
Cr2CH2 | 1.92 | 90.39 | 90.10 | 0.512 | 0.047 |
Cr2CO2 | 4.23 | 91.42 | 90.07 | 1.925 | 0.135 |
Cr2CS2 | 22.57 | 93.32 | 90.91 | 68.051 | 2.883 |
Cr2HfCN | 7.59 | 92.16 | 90.23 | 4.093 | 0.238 |
Cr2HfCNO2 | 11.94 | 93.85 | 90.38 | 7.292 | 0.263 |
Cr2MoCN | 7.48 | 92.07 | 90.23 | 5.620 | 0.346 |
Cr2MoCNO2 | 11.24 | 93.75 | 90.36 | 8.708 | 0.321 |
Cr2N | 2.02 | 90.47 | 90.04 | 0.610 | 0.055 |
Cr2N(OH)2 | 3.41 | 91.09 | 90.05 | 1.261 | 0.098 |
Cr2Nb2C3 | 4.91 | 91.39 | 90.10 | 1.857 | 0.133 |
Cr2NbCN | 7.61 | 92.09 | 90.17 | 5.856 | 0.357 |
Cr2NbCNO2 | 11.53 | 93.79 | 90.38 | 9.249 | 0.338 |
Cr2NF2 | 2.27 | 90.62 | 90.08 | 0.587 | 0.051 |
Cr2NH2 | 2.08 | 90.54 | 90.04 | 0.538 | 0.048 |
Cr2NO2 | 2.88 | 90.88 | 90.11 | 1.003 | 0.083 |
Cr2Ta2C3 | 4.14 | 91.15 | 90.10 | 0.012 | 0.001 |
Cr2TaC2 | 2.43 | 90.61 | 90.06 | 0.007 | 0.001 |
Cr2TaCN | 7.68 | 92.13 | 90.13 | 0.073 | 0.004 |
Cr2TaCNO2 | 11.62 | 93.82 | 90.38 | 0.132 | 0.005 |
Cr2Ti2C3 | 5.58 | 91.53 | 90.18 | 3.304 | 0.229 |
Cr2TiC2 | 2.79 | 90.69 | 90.17 | 0.901 | 0.077 |
Cr2TiC2(OH)2 | 7.43 | 92.15 | 90.28 | 3.874 | 0.236 |
Cr2TiC2F2 | 9.22 | 93.09 | 90.29 | 7.939 | 0.370 |
Cr2TiC2O2 | 7.82 | 92.75 | 90.26 | 5.124 | 0.259 |
Cr2TiCN | 7.78 | 92.12 | 90.14 | 7.859 | 0.479 |
Cr2TiCNO2 | 11.22 | 93.74 | 90.36 | 10.813 | 0.403 |
Cr2V2C3 | 5.76 | 91.63 | 90.08 | 3.421 | 0.237 |
Cr2VC2 | 2.82 | 90.70 | 90.06 | 0.894 | 0.075 |
Cr2VCN | 7.82 | 92.06 | 90.21 | 7.765 | 0.469 |
Cr2VCNO2 | 11.05 | 93.70 | 90.41 | 10.499 | 0.399 |
Cr2ZrCN | 7.46 | 92.06 | 90.24 | 5.581 | 0.339 |
Cr2ZrCNO2 | 12.01 | 93.89 | 90.35 | 9.940 | 0.352 |
Cr3C2 | 3.54 | 90.76 | 90.12 | 1.566 | 0.134 |
Cr3C2(OH)2 | 4.75 | 91.13 | 90.09 | 1.593 | 0.122 |
Cr3C2F2 | 3.30 | 90.95 | 90.19 | 0.768 | 0.062 |
Cr3C2H2 | 4.14 | 91.24 | 90.16 | 1.423 | 0.109 |
Cr3C2O2 | 4.24 | 91.31 | 90.06 | 1.364 | 0.098 |
Cr3CN | 7.64 | 92.01 | 90.20 | 7.293 | 0.449 |
Cr3CNO2 | 11.41 | 93.67 | 90.41 | 11.230 | 0.426 |
Cr3N2 | 2.48 | 90.74 | 89.98 | 0.553 | 0.048 |
Cr3N2(OH)2 | 14.42 | 93.92 | 90.49 | 15.343 | 0.532 |
Cr3N2H2 | 4.32 | 91.29 | 90.16 | 1.558 | 0.117 |
Cr3N2O2 | 4.57 | 91.41 | 90.19 | 1.289 | 0.093 |
Cr4C3 | 3.93 | 90.90 | 90.08 | 1.537 | 0.123 |
Cr4C3(OH)2 | 4.37 | 91.27 | 90.17 | 1.155 | 0.087 |
Cr4C3F2 | 3.14 | 90.77 | 90.12 | 0.609 | 0.050 |
Cr4C3H2 | 3.55 | 90.94 | 90.08 | 0.824 | 0.065 |
Cr4C3O2 | 4.22 | 91.27 | 90.15 | 1.101 | 0.081 |
Cr4N3 | 2.41 | 90.31 | 90.06 | 0.549 | 0.051 |
Cr4N3(OH)2 | 3.84 | 91.00 | 90.11 | 0.847 | 0.067 |
Cr4N3F2 | 2.70 | 90.68 | 90.06 | 0.432 | 0.037 |
Cr4N3H2 | 3.10 | 90.83 | 90.03 | 0.580 | 0.048 |
Cr4N3O2 | 3.32 | 90.84 | 90.09 | 0.660 | 0.054 |
CrMoCF2 | 2.98 | 90.78 | 90.14 | 0.931 | 0.078 |
CrWCF2 | 3.34 | 90.97 | 90.08 | 0.792 | 0.063 |
Hf2C | 2.55 | 90.57 | 90.03 | 0.460 | 0.040 |
Hf2C(OH)2 | 3.31 | 90.91 | 90.14 | 0.487 | 0.038 |
Hf2CF2 | 2.65 | 90.81 | 90.03 | 0.351 | 0.030 |
Hf2CF2 -(model2) | 2.79 | 90.78 | 90.06 | 0.415 | 0.035 |
Hf2CF2 -(model3) | 2.58 | 90.48 | 90.10 | 0.507 | 0.045 |
Hf2CF2 -(model4) | 2.56 | 90.58 | 90.04 | 0.444 | 0.039 |
Hf2CO2 | 3.44 | 90.90 | 90.02 | 0.654 | 0.054 |
Hf2CO2 -(model2) | 2.65 | 90.80 | 90.22 | 0.324 | 0.028 |
Hf2CO2 -(model3) | 2.71 | 90.51 | 90.02 | 0.499 | 0.044 |
Hf2CO2 -(model4) | 2.95 | 90.56 | 90.01 | 0.609 | 0.054 |
Hf2CrCN | 6.12 | 91.77 | 90.16 | 1.848 | 0.120 |
Hf2CrCNO2 | 7.83 | 92.50 | 90.26 | 1.919 | 0.106 |
Hf2MoCN | 6.02 | 91.74 | 90.24 | 1.576 | 0.106 |
Hf2MoCNO2 | 8.11 | 92.39 | 90.35 | 1.821 | 0.102 |
Hf2N | 2.17 | 90.54 | 90.06 | 0.314 | 0.028 |
Hf2N(OH)2 | 3.66 | 90.98 | 90.13 | 0.527 | 0.042 |
Hf2NbCN | 6.06 | 91.78 | 90.18 | 1.617 | 0.106 |
Hf2NbCNO2 | 8.03 | 92.45 | 90.30 | 1.824 | 0.100 |
Hf2NF2 | 2.54 | 90.75 | 90.03 | 0.271 | 0.023 |
Hf2NF2 -(model2) | 2.83 | 90.81 | 90.06 | 0.407 | 0.034 |
Hf2NF2 -(model4) | 3.69 | 90.80 | 90.07 | 0.968 | 0.080 |
Hf2NO2 | 3.12 | 90.86 | 90.10 | 0.511 | 0.042 |
Hf2TaCN | 6.28 | 91.85 | 90.19 | 0.045 | 0.003 |
Hf2TaCNO2 | 8.14 | 92.48 | 90.26 | 0.052 | 0.003 |
Hf2TiCN | 6.21 | 91.81 | 90.11 | 1.863 | 0.118 |
Hf2TiCNO2 | 7.93 | 92.46 | 90.24 | 1.971 | 0.109 |
Hf2VCN | 6.16 | 91.79 | 90.21 | 1.850 | 0.120 |
Hf2VCNO2 | 7.84 | 92.44 | 90.17 | 1.928 | 0.105 |
Hf2ZrCN | 6.17 | 91.79 | 90.25 | 1.632 | 0.107 |
Hf2ZrCNO2 | 8.33 | 92.44 | 90.27 | 1.925 | 0.106 |
Hf3C2 | 3.32 | 90.70 | 90.03 | 0.501 | 0.042 |
Hf3C2(OH)2 | 4.36 | 90.50 | 90.08 | 0.492 | 0.044 |
Hf3C2F2 | 3.19 | 90.80 | 90.02 | 0.301 | 0.025 |
Hf3C2H2 | 2.20 | 90.21 | 89.94 | 0.112 | 0.011 |
Hf3C2O2 | 4.30 | 91.21 | 90.14 | 0.599 | 0.045 |
Hf3CN | 3.32 | 90.75 | 90.04 | 0.485 | 0.041 |
Hf3CNO2 | 4.74 | 91.44 | 90.18 | 0.732 | 0.053 |
Hf3N2 | 2.67 | 90.67 | 90.16 | 0.268 | 0.023 |
Hf3N2(OH)2 | 4.76 | 90.48 | 90.06 | 0.525 | 0.047 |
Hf3N2F2 | 3.12 | 90.72 | 90.04 | 0.241 | 0.020 |
Hf3N2H2 | 2.68 | 90.38 | 90.12 | 0.161 | 0.015 |
Hf3N2O2 | 3.88 | 91.04 | 90.21 | 0.455 | 0.036 |
Hf4C3 | 2.52 | 90.49 | 90.06 | 0.204 | 0.018 |
Hf4C3(OH)2 | 3.54 | 90.82 | 90.17 | 0.321 | 0.026 |
Hf4C3F2 | 3.27 | 90.76 | 90.08 | 0.255 | 0.021 |
Hf4C3H2 | 2.61 | 90.30 | 90.19 | 0.127 | 0.012 |
Hf4C3O2 | 4.58 | 91.46 | 90.23 | 0.547 | 0.040 |
Hf4N3 | 2.59 | 90.47 | 90.07 | 0.205 | 0.018 |
Hf4N3(OH)2 | 4.01 | 90.63 | 90.07 | 0.321 | 0.027 |
Hf4N3F2 | 2.98 | 90.65 | 90.09 | 0.191 | 0.016 |
Hf4N3H2 | 2.45 | 90.39 | 90.05 | 0.108 | 0.010 |
Hf4N3O2 | 3.92 | 91.15 | 90.12 | 0.378 | 0.029 |
HfCrNO2 | 3.11 | 90.95 | 90.13 | 0.608 | 0.049 |
Mn2C | 2.69 | 90.65 | 90.18 | 1.311 | 0.111 |
Mn2C(OH)2 | 3.55 | 91.17 | 90.14 | 1.378 | 0.105 |
Mn2CF2 | 2.54 | 90.72 | 90.01 | 0.702 | 0.059 |
Mn2CO2 | 3.16 | 90.98 | 90.09 | 1.190 | 0.098 |
Mn2N | 2.03 | 90.55 | 90.12 | 0.554 | 0.048 |
Mn2N(OH)2 | 2.96 | 90.92 | 90.02 | 0.962 | 0.078 |
Mn2NF2 | 2.23 | 90.57 | 90.14 | 0.545 | 0.048 |
Mn2NO2 | 2.94 | 90.89 | 90.02 | 0.950 | 0.080 |
Mn3C2 | 3.61 | 90.76 | 90.11 | 1.563 | 0.130 |
Mn3C2(OH)2 | 5.15 | 91.17 | 90.24 | 1.735 | 0.132 |
Mn3C2F2 | 3.27 | 91.02 | 90.19 | 0.730 | 0.057 |
Mn3C2O2 | 4.20 | 91.31 | 90.15 | 1.286 | 0.097 |
Mn3N2 | 2.57 | 90.49 | 90.08 | 0.800 | 0.071 |
Mn3N2(OH)2 | 4.63 | 90.92 | 90.11 | 1.325 | 0.111 |
Mn3N2F2 | 2.84 | 90.84 | 90.02 | 0.541 | 0.044 |
Mn4C3 | 3.93 | 90.90 | 90.09 | 1.482 | 0.120 |
Mn4C3(OH)2 | 4.91 | 91.44 | 90.15 | 1.305 | 0.094 |
Mn4C3F2 | 3.22 | 90.86 | 90.12 | 0.574 | 0.047 |
Mn4C3O2 | 3.90 | 91.10 | 90.20 | 0.934 | 0.074 |
Mn4N3 | 2.80 | 90.66 | 90.16 | 0.521 | 0.045 |
Mn4N3(OH)2 | 4.52 | 91.21 | 90.18 | 1.038 | 0.077 |
Mn4N3O2 | 3.30 | 90.85 | 90.07 | 0.618 | 0.051 |
Mo1.33C | 3.89 | 90.38 | 90.06 | 2.689 | 0.249 |
Mo2C | 3.00 | 90.66 | 90.04 | 1.079 | 0.094 |
Mo2C(NCS)2 | 20.99 | 88.77 | 91.00 | 34.264 | 4.307 |
Mo2C(OCN)2 | 9.08 | 93.20 | 90.35 | 5.961 | 0.269 |
Mo2C(OH)2 | 3.12 | 90.97 | 90.09 | 0.787 | 0.063 |
Mo2C(SCN)2 | 12.38 | 92.86 | 90.39 | 10.376 | 0.502 |
Mo2CBr2 | 11.13 | 93.69 | 90.39 | 8.877 | 0.337 |
Mo2CCl2 | 7.80 | 92.83 | 90.29 | 5.561 | 0.273 |
Mo2CF2 | 2.51 | 90.68 | 90.03 | 0.569 | 0.049 |
Mo2CF2 -(model4) | 3.53 | 90.74 | 90.12 | 1.362 | 0.114 |
Mo2CO2 | 3.73 | 91.20 | 90.18 | 0.979 | 0.073 |
Mo2CO2 -(model4) | 2.99 | 90.86 | 90.10 | 0.749 | 0.062 |
Mo2CrCN | 7.08 | 91.91 | 90.22 | 4.123 | 0.258 |
Mo2CrCNO2 | 10.16 | 93.44 | 90.31 | 5.785 | 0.234 |
Mo2CS2 | 20.74 | 93.97 | 90.81 | 39.488 | 1.377 |
Mo2Hf2C3O2 | 4.39 | 91.24 | 90.06 | 0.533 | 0.040 |
Mo2HfC2 | 2.19 | 90.52 | 90.07 | 0.263 | 0.023 |
Mo2HfC2O2 | 4.81 | 91.34 | 90.22 | 0.878 | 0.064 |
Mo2HfCN | 6.71 | 91.98 | 90.23 | 2.400 | 0.149 |
Mo2HfCNO2 | 10.81 | 93.50 | 90.47 | 4.472 | 0.178 |
Mo2N | 2.51 | 90.63 | 90.02 | 0.590 | 0.051 |
Mo2N(OH)2 | 5.36 | 91.47 | 90.15 | 1.625 | 0.112 |
Mo2Nb2C3 | 4.15 | 91.17 | 90.13 | 1.053 | 0.082 |
Mo2NbC2 | 2.36 | 90.60 | 90.03 | 0.373 | 0.033 |
Mo2NbCN | 6.72 | 91.92 | 90.21 | 3.129 | 0.199 |
Mo2NbCNO2 | 10.37 | 93.54 | 90.36 | 5.312 | 0.213 |
Mo2NF2 | 3.09 | 91.01 | 89.97 | 0.529 | 0.042 |
Mo2NO2 | 3.49 | 91.20 | 90.14 | 0.813 | 0.061 |
Mo2ScC2 | 2.39 | 90.64 | 90.07 | 0.462 | 0.040 |
Mo2ScC2O2 | 4.72 | 91.31 | 90.21 | 1.186 | 0.087 |
Mo2Ta2C3 | 3.81 | 91.07 | 90.08 | 0.010 | 0.001 |
Mo2TaCN | 2.25 | 90.60 | 90.12 | 0.006 | 0.001 |
Mo2TaCNO2 | 6.75 | 91.92 | 90.18 | 0.053 | 0.003 |
Mo2TaC2 | 10.45 | 93.47 | 90.43 | 0.099 | 0.004 |
Mo2Ti2C3 | 4.89 | 91.40 | 90.06 | 1.830 | 0.131 |
Mo2Ti2C3(OH)1.5F0.5 | 6.64 | 92.20 | 90.32 | 2.129 | 0.127 |
Mo2Ti2C3O1.5F0.5 | 4.69 | 91.56 | 90.13 | 1.121 | 0.077 |
Mo2Ti2C3O2 | 4.45 | 91.31 | 90.23 | 0.930 | 0.069 |
Mo2TiC2 | 2.48 | 90.61 | 90.00 | 0.482 | 0.042 |
Mo2TiC2(O1.5F0.5) | 5.08 | 87.88 | 89.92 | 1.425 | 0.216 |
Mo2TiC2(OH)2 | 6.65 | 91.78 | 90.08 | 2.356 | 0.155 |
Mo2TiC2F2 | 6.52 | 92.22 | 90.16 | 3.144 | 0.185 |
Mo2TiC2O2 | 4.87 | 91.47 | 90.25 | 1.323 | 0.093 |
Mo2TiCN | 6.99 | 91.94 | 90.16 | 4.005 | 0.250 |
Mo2TiCNO2 | 10.27 | 93.50 | 90.37 | 5.976 | 0.238 |
Mo2V2C3 | 4.90 | 91.34 | 90.14 | 1.786 | 0.129 |
Mo2VC2 | 2.50 | 90.66 | 89.99 | 0.480 | 0.041 |
Mo2VCN | 7.00 | 91.96 | 90.22 | 4.046 | 0.252 |
Mo2VCNO2 | 10.15 | 93.42 | 90.37 | 5.815 | 0.240 |
Mo2Zr2C3O2 | 4.36 | 91.24 | 90.11 | 0.729 | 0.053 |
Mo2ZrC2 | 2.26 | 90.58 | 90.03 | 0.351 | 0.030 |
Mo2ZrC2O2 | 4.95 | 91.58 | 90.17 | 1.291 | 0.089 |
Mo2ZrCN | 6.67 | 91.97 | 90.24 | 3.095 | 0.195 |
Mo2ZrCNO2 | 10.62 | 93.52 | 90.35 | 5.453 | 0.218 |
Mo3C2 | 4.09 | 91.02 | 90.07 | 1.120 | 0.087 |
Mo3C2(OH)2 | 7.80 | 90.50 | 90.18 | 2.150 | 0.191 |
Mo3C2F2 | 4.12 | 90.92 | 90.03 | 0.615 | 0.050 |
Mo3C2H2 | 4.24 | 91.12 | 90.20 | 0.892 | 0.069 |
Mo3C2O2 | 5.83 | 91.73 | 90.21 | 1.473 | 0.098 |
Mo3CN | 4.77 | 91.27 | 90.17 | 1.683 | 0.127 |
Mo3N2 | 3.03 | 90.85 | 90.13 | 0.515 | 0.043 |
Mo3N2(OH)2 | 8.53 | 90.39 | 90.14 | 2.381 | 0.217 |
Mo3N2F2 | 3.97 | 90.79 | 90.02 | 0.513 | 0.043 |
Mo3N2H2 | 3.35 | 91.02 | 90.08 | 0.544 | 0.042 |
Mo3N2O2 | 4.91 | 91.10 | 90.32 | 0.893 | 0.070 |
Mo4C3 | 4.45 | 91.19 | 90.08 | 1.226 | 0.091 |
Mo4C3(OH)2 | 4.43 | 90.99 | 90.13 | 0.711 | 0.056 |
Mo4C3F2 | 3.26 | 90.81 | 90.13 | 0.413 | 0.034 |
Mo4C3O2 | 4.41 | 91.37 | 90.18 | 0.783 | 0.056 |
Mo4N3 | 3.01 | 90.61 | 90.12 | 0.463 | 0.040 |
Mo4N3(OH)2 | 3.50 | 90.80 | 90.16 | 0.478 | 0.040 |
Mo4N3F2 | 2.80 | 90.56 | 90.17 | 0.330 | 0.029 |
Mo4N3H2 | 2.71 | 90.69 | 90.04 | 0.230 | 0.019 |
Mo4N3O2 | 3.31 | 90.80 | 90.12 | 0.509 | 0.043 |
MoCrC | 2.04 | 90.52 | 89.99 | 0.626 | 0.054 |
MoCrCO2 -(model4) | 3.38 | 90.96 | 90.09 | 1.138 | 0.092 |
MoWC | 1.99 | 90.49 | 90.08 | 0.332 | 0.029 |
MoWC(NCO)2 | 7.77 | 92.77 | 90.29 | 3.359 | 0.167 |
MoWC(OCN)2 | 9.12 | 93.24 | 90.37 | 4.667 | 0.203 |
MoWC(SCN)2 | 12.44 | 93.21 | 90.47 | 8.355 | 0.362 |
MoWCCl2 | 10.11 | 93.48 | 90.31 | 7.439 | 0.305 |
MoWCF2 | 0.91 | 89.78 | 89.97 | 0.109 | 0.011 |
MoWCO2-(model2) | 3.42 | 91.00 | 90.11 | 0.676 | 0.054 |
Nb0.4V1.6C | 16.92 | 85.22 | 89.20 | 65.747 | 14.821 |
Nb0.8V1.2C | 7.34 | 88.08 | 89.56 | 11.298 | 1.571 |
Nb1.2V0.8C | 5.37 | 90.58 | 90.07 | 5.737 | 0.502 |
Nb1.33C | 26.48 | 39.09 | 40.37 | 57.152 | 218.015 |
Nb1.6V0.4C | 3.46 | 90.25 | 90.16 | 2.210 | 0.210 |
Nb2C | 2.72 | 90.64 | 90.08 | 0.957 | 0.082 |
Nb2C(OH)2 | 3.40 | 90.95 | 90.01 | 0.875 | 0.069 |
Nb2CF2 | 2.64 | 90.75 | 90.03 | 0.583 | 0.049 |
Nb2CO2 | 3.33 | 90.90 | 90.02 | 0.991 | 0.079 |
Nb2CrCN | 7.41 | 92.01 | 90.20 | 4.689 | 0.286 |
Nb2CrCNO2 | 8.81 | 93.06 | 90.22 | 4.192 | 0.191 |
Nb2HfCN | 7.07 | 92.04 | 90.22 | 2.807 | 0.175 |
Nb2HfCNO2 | 9.38 | 93.01 | 90.34 | 3.193 | 0.151 |
Nb2MoCN | 7.15 | 91.97 | 90.23 | 3.681 | 0.228 |
Nb2MoCNO2 | 8.96 | 93.00 | 90.29 | 3.710 | 0.177 |
Nb2N | 2.27 | 90.54 | 90.04 | 0.628 | 0.054 |
Nb2N(OH)2 | 4.43 | 91.25 | 90.08 | 1.234 | 0.091 |
Nb2NF2 | 2.88 | 90.86 | 90.00 | 0.515 | 0.042 |
Nb2NH2 | 1.76 | 90.34 | 90.07 | 0.301 | 0.027 |
Nb2NO2 | 3.12 | 90.87 | 90.19 | 0.846 | 0.068 |
Nb2Ta2C3 | 3.93 | 91.06 | 90.12 | 0.011 | 0.001 |
Nb2TaCN | 7.60 | 92.08 | 90.23 | 0.070 | 0.004 |
Nb2TaCNO2 | 9.30 | 93.10 | 90.26 | 0.074 | 0.003 |
Nb2TiCN | 7.08 | 91.97 | 90.16 | 4.337 | 0.272 |
Nb2TiCNO2 | 8.91 | 92.97 | 90.39 | 4.284 | 0.202 |
Nb2VCN | 7.10 | 91.89 | 90.22 | 4.333 | 0.276 |
Nb2VCNO2 | 8.73 | 93.01 | 90.28 | 4.148 | 0.196 |
Nb2W2C3 | 4.53 | 91.24 | 90.11 | 0.880 | 0.065 |
Nb2Zr2C3 | 3.97 | 91.04 | 90.03 | 1.012 | 0.081 |
Nb2ZrCN | 7.21 | 92.07 | 90.15 | 3.737 | 0.229 |
Nb2ZrCNO2 | 8.99 | 92.98 | 90.37 | 3.757 | 0.180 |
Nb3C2 | 3.68 | 90.91 | 90.19 | 1.115 | 0.090 |
Nb3C2(OH)2 | 4.87 | 90.69 | 90.04 | 1.042 | 0.089 |
Nb3C2F2 | 3.42 | 90.90 | 90.20 | 0.563 | 0.045 |
Nb3C2H2 | 2.98 | 90.59 | 89.99 | 0.395 | 0.035 |
Nb3C2O2 | 4.43 | 91.31 | 90.15 | 1.076 | 0.081 |
Nb3CN | 4.62 | 91.15 | 90.19 | 1.687 | 0.129 |
Nb3CNO2 | 8.95 | 93.00 | 90.27 | 3.755 | 0.181 |
Nb3N2 | 2.88 | 90.81 | 90.11 | 0.502 | 0.042 |
Nb3N2(OH)2 | 7.46 | 90.36 | 90.12 | 1.918 | 0.175 |
Nb3N2F2 | 3.79 | 90.75 | 90.07 | 0.513 | 0.044 |
Nb3N2H2 | 3.33 | 90.77 | 90.02 | 0.477 | 0.039 |
Nb3N2O2 | 4.13 | 91.07 | 90.20 | 0.818 | 0.063 |
Nb4C3 | 3.74 | 91.00 | 90.16 | 0.871 | 0.070 |
Nb4C3(OH)2 | 5.48 | 90.81 | 90.24 | 0.989 | 0.081 |
Nb4C3F2 | 3.50 | 90.72 | 90.10 | 0.429 | 0.036 |
Nb4C3H2 | 2.85 | 90.54 | 90.15 | 0.288 | 0.025 |
Nb4C3O2 | 4.45 | 91.36 | 90.09 | 0.838 | 0.061 |
Nb4N3 | 2.84 | 90.52 | 90.02 | 0.471 | 0.042 |
Nb4N3(OH)2 | 3.78 | 90.82 | 90.11 | 0.540 | 0.045 |
Nb4N3F2 | 2.89 | 90.58 | 90.08 | 0.336 | 0.029 |
Nb4N3O2 | 3.82 | 91.07 | 90.15 | 0.625 | 0.049 |
Nb5C4(OH)2 | 6.63 | 90.59 | 90.15 | 1.110 | 0.097 |
Nb5C4F2 | 3.45 | 90.72 | 90.13 | 0.332 | 0.028 |
Nb5C4O2 | 4.59 | 91.40 | 90.22 | 0.655 | 0.047 |
NbCrN(NCO)2 | 11.66 | 93.64 | 90.42 | 10.150 | 0.391 |
NbCrN(NCS)2 | 20.56 | 73.19 | 92.14 | 30.327 | 26.131 |
NbCrN(OCN)2 | 9.59 | 93.37 | 90.37 | 7.746 | 0.330 |
NbCrN(SCN)2 | 13.54 | 93.16 | 90.48 | 14.176 | 0.643 |
NbCrNBr2 | 16.46 | 94.53 | 90.49 | 21.675 | 0.600 |
NbCrNCl2 | 11.15 | 93.64 | 90.38 | 13.543 | 0.520 |
NbCrNF2 | 3.10 | 90.81 | 90.04 | 1.013 | 0.085 |
NbMoN(NCO)2 | 7.15 | 92.58 | 90.34 | 3.737 | 0.196 |
NbMoN(NCS)2 | 21.49 | 89.30 | 91.06 | 36.004 | 4.083 |
NbMoN(OCN)2 | 6.30 | 90.15 | 90.08 | 1.629 | 0.157 |
NbMoN(SCN)2 | 13.27 | 93.05 | 90.47 | 11.843 | 0.551 |
NbMoNBr2 | 13.78 | 94.30 | 90.40 | 14.180 | 0.435 |
NbMoNCl2 | 9.42 | 93.24 | 90.34 | 8.424 | 0.365 |
NbMoN(CN)2 | 4.88 | 91.61 | 90.13 | 1.936 | 0.133 |
NbMoNF2 | 3.22 | 90.80 | 90.17 | 0.941 | 0.077 |
NbWN(NCO)2 | 7.40 | 92.68 | 90.29 | 3.070 | 0.160 |
NbWN(NCS)2 | 21.48 | 89.28 | 91.11 | 28.573 | 3.308 |
NbWN(OCN)2 | 8.58 | 93.09 | 90.29 | 4.141 | 0.188 |
NbWN(SCN)2 | 13.16 | 93.42 | 90.43 | 9.358 | 0.380 |
NbWNBr2 | 14.75 | 94.41 | 90.50 | 12.841 | 0.375 |
NbWNCl2 | 9.68 | 93.35 | 90.22 | 6.752 | 0.288 |
NbWN(CN)2 | 3.67 | 91.00 | 90.15 | 0.927 | 0.074 |
NbWNF2 | 3.06 | 90.73 | 90.12 | 0.681 | 0.057 |
Sc2C | 1.79 | 90.48 | 90.01 | 0.815 | 0.073 |
Sc2C(CN)2 | 3.25 | 90.82 | 90.12 | 1.787 | 0.147 |
Sc2C(NCO)2 | 7.27 | 92.36 | 90.23 | 5.430 | 0.303 |
Sc2C(NCS)2 | 19.75 | 84.74 | 91.00 | 41.573 | 10.074 |
Sc2C(OCI)2 | 12.18 | 93.96 | 90.37 | 17.949 | 0.625 |
Sc2C(OCN)2 | 9.26 | 92.83 | 90.26 | 8.305 | 0.403 |
Sc2C(OH)2 | 2.91 | 90.87 | 90.04 | 1.131 | 0.093 |
Sc2C(SCN)2 | 9.55 | 92.80 | 90.42 | 9.810 | 0.481 |
Sc2CBr2 | 8.42 | 93.08 | 90.26 | 7.471 | 0.350 |
Sc2CCl2 | 7.56 | 92.70 | 90.35 | 8.475 | 0.430 |
Sc2CF2 | 2.40 | 90.64 | 90.02 | 0.841 | 0.074 |
Sc2CF2 -(model2) | 3.30 | 90.83 | 90.01 | 1.612 | 0.128 |
Sc2CF2 -(model3) | 3.09 | 90.64 | 90.03 | 1.768 | 0.152 |
Sc2CF2 -(model4) | 3.73 | 90.83 | 90.09 | 2.648 | 0.219 |
Sc2CO2 -(model3) | 3.06 | 90.67 | 90.13 | 1.771 | 0.151 |
Sc2CO2 -(model4) | 2.93 | 90.82 | 90.13 | 1.326 | 0.110 |
Sc2N | 1.59 | 90.35 | 90.04 | 0.549 | 0.051 |
Sc2N(OH)2 | 2.90 | 90.83 | 90.14 | 1.071 | 0.090 |
Sc2NF2 | 2.28 | 90.62 | 90.09 | 0.682 | 0.060 |
Sc2NF2 -(model3) | 3.29 | 90.69 | 90.11 | 1.946 | 0.166 |
Sc2NF2 -(model4) | 3.02 | 90.83 | 90.02 | 1.401 | 0.117 |
Sc2NO2 | 2.80 | 90.69 | 90.05 | 1.211 | 0.102 |
Sc2NO2 -(model2) | 3.34 | 91.10 | 90.04 | 1.381 | 0.108 |
Sc3C2 | 2.31 | 90.46 | 90.05 | 0.832 | 0.073 |
Sc3C2(OH)2 | 3.66 | 90.52 | 90.12 | 1.098 | 0.096 |
Sc3C2Br2 | 3.41 | 90.82 | 90.02 | 0.596 | 0.050 |
Sc3C2F2 | 2.97 | 90.75 | 90.05 | 0.739 | 0.062 |
Sc3C2O2 | 3.63 | 90.80 | 90.14 | 1.639 | 0.134 |
Sc3N2 | 1.92 | 90.42 | 90.09 | 0.482 | 0.043 |
Sc3N2(OH)2 | 3.95 | 90.56 | 90.06 | 1.141 | 0.100 |
Sc3N2F2 | 2.70 | 90.67 | 89.97 | 0.579 | 0.050 |
Sc3N2O2 | 3.24 | 90.82 | 90.19 | 1.009 | 0.083 |
Sc4C3 | 2.72 | 90.50 | 90.00 | 0.918 | 0.082 |
Sc4C3(OH)2 | 3.92 | 90.47 | 90.13 | 0.961 | 0.087 |
Sc4C3F2 | 3.02 | 90.58 | 90.20 | 0.629 | 0.055 |
Sc4C3O2 | 3.92 | 91.09 | 90.01 | 1.188 | 0.092 |
Sc4N3 | 1.96 | 90.35 | 89.99 | 0.384 | 0.034 |
Sc4N3(OH)2 | 3.70 | 90.59 | 90.12 | 0.827 | 0.071 |
Sc4N3F2 | 2.71 | 90.61 | 90.02 | 0.479 | 0.042 |
Sc4N3O2 | 3.36 | 90.76 | 90.16 | 0.834 | 0.069 |
ScCrC(OCN)2 | 8.79 | 93.18 | 90.26 | 8.368 | 0.366 |
ScCrC(OH)2 | 4.18 | 91.37 | 90.28 | 2.090 | 0.155 |
ScCrCF2 | 2.99 | 90.82 | 90.04 | 1.237 | 0.102 |
ScHfN(SCN)2 | 10.53 | 92.65 | 90.32 | 7.049 | 0.367 |
ScHfNO2 | 2.94 | 90.71 | 90.09 | 0.694 | 0.059 |
ScNbCO2 | 2.99 | 90.78 | 90.07 | 1.033 | 0.086 |
ScTaCO2 | 3.17 | 90.81 | 90.02 | 0.012 | 0.001 |
ScTiNO2 | 3.07 | 90.94 | 90.15 | 1.235 | 0.099 |
ScVCO2 | 2.93 | 90.85 | 90.16 | 1.212 | 0.100 |
ScYC(CN)2 | 3.40 | 90.94 | 90.12 | 1.346 | 0.108 |
ScYC(NCO)2 | 5.64 | 91.91 | 90.17 | 3.197 | 0.202 |
ScYC(NCS)2 | 18.37 | 91.53 | 90.65 | 33.728 | 2.374 |
ScYC(OCI)2 | 6.98 | 92.59 | 90.23 | 5.304 | 0.279 |
ScYC(OCN)2 | 6.56 | 92.34 | 90.22 | 4.207 | 0.240 |
ScYC(OH)2 | 3.26 | 90.97 | 90.13 | 1.132 | 0.090 |
ScYC(SCN)2 | 9.74 | 92.55 | 90.27 | 8.572 | 0.454 |
ScYCBr2 | 8.18 | 92.87 | 90.23 | 6.050 | 0.298 |
ScYCCl2 | 6.00 | 92.10 | 90.25 | 4.609 | 0.281 |
ScYCF2 | 2.84 | 90.61 | 90.12 | 1.076 | 0.094 |
ScZrN(SCN)2 | 11.47 | 92.84 | 90.43 | 11.126 | 0.547 |
ScZrNO2 | 3.12 | 90.81 | 90.13 | 1.112 | 0.089 |
Ta2C | 3.19 | 90.65 | 90.13 | 0.007 | 0.001 |
Ta2C(OH)2 | 4.46 | 91.26 | 90.07 | 0.009 | 0.001 |
Ta2CF2 | 2.73 | 90.77 | 90.11 | 0.004 | 0.000 |
Ta2CO2 | 3.51 | 91.05 | 90.04 | 0.007 | 0.001 |
Ta2CrCN | 6.92 | 91.91 | 90.21 | 0.029 | 0.002 |
Ta2CrCNO2 | 8.09 | 92.69 | 90.29 | 0.027 | 0.001 |
Ta2HfCN | 6.64 | 91.94 | 90.18 | 0.026 | 0.002 |
Ta2HfCNO2 | 8.50 | 92.58 | 90.27 | 0.029 | 0.002 |
Ta2MoCN | 6.69 | 91.94 | 90.18 | 0.027 | 0.002 |
Ta2MoCNO2 | 8.22 | 92.65 | 90.28 | 0.028 | 0.001 |
Ta2N | 2.61 | 90.63 | 90.23 | 0.005 | 0.000 |
Ta2N(OH)2 | 4.84 | 91.30 | 90.17 | 0.009 | 0.001 |
Ta2NbCN | 6.73 | 91.91 | 90.13 | 0.027 | 0.002 |
Ta2NbCNO2 | 8.21 | 92.70 | 90.30 | 0.028 | 0.001 |
Ta2NF2 | 3.13 | 91.00 | 90.12 | 0.004 | 0.000 |
Ta2NH2 | 1.69 | 90.30 | 90.07 | 0.002 | 0.000 |
Ta2NO2 | 3.22 | 90.86 | 90.08 | 0.006 | 0.000 |
Ta2TiCN | 6.76 | 91.90 | 90.15 | 0.027 | 0.002 |
Ta2TiCNO2 | 8.31 | 92.66 | 90.30 | 0.028 | 0.001 |
Ta2VCN | 6.75 | 91.89 | 90.19 | 0.028 | 0.002 |
Ta2VCNO2 | 8.13 | 92.74 | 90.29 | 0.028 | 0.001 |
Ta2ZrCN | 6.67 | 91.95 | 90.20 | 0.026 | 0.002 |
Ta2ZrCNO2 | 8.31 | 92.61 | 90.22 | 0.028 | 0.001 |
Ta3C2 | 4.28 | 91.10 | 90.19 | 0.008 | 0.001 |
Ta3C2(OH)2 | 6.18 | 90.74 | 90.12 | 0.010 | 0.001 |
Ta3C2F2 | 3.90 | 90.97 | 90.09 | 0.004 | 0.000 |
Ta3C2H2 | 2.73 | 90.45 | 89.97 | 0.002 | 0.000 |
Ta3C2O2 | 4.76 | 91.45 | 90.16 | 0.008 | 0.001 |
Ta3CN | 3.73 | 90.85 | 90.12 | 0.006 | 0.001 |
Ta3CNO2 | 8.42 | 92.63 | 90.29 | 0.019 | 0.001 |
Ta3N2 | 3.42 | 90.94 | 90.08 | 0.004 | 0.000 |
Ta3N2(OH)2 | 8.32 | 90.27 | 90.14 | 0.015 | 0.001 |
Ta3N2F2 | 4.16 | 90.79 | 90.14 | 0.004 | 0.000 |
Ta3N2H2 | 2.78 | 90.47 | 90.08 | 0.002 | 0.000 |
Ta3N2O2 | 4.43 | 91.29 | 90.23 | 0.006 | 0.000 |
Ta4C3 | 4.46 | 91.27 | 90.11 | 0.007 | 0.001 |
Ta4C3(OH)2 | 5.62 | 91.00 | 90.11 | 0.007 | 0.001 |
Ta4C3F2 | 3.77 | 90.95 | 90.15 | 0.003 | 0.000 |
Ta4C3H2 | 2.71 | 90.45 | 90.12 | 0.002 | 0.000 |
Ta4C3O2 | 4.84 | 91.60 | 90.16 | 0.006 | 0.000 |
Ta4N3 | 3.23 | 90.76 | 90.05 | 0.004 | 0.000 |
Ta4N3(OH)2 | 4.06 | 90.90 | 90.09 | 0.004 | 0.000 |
Ta4N3F2 | 3.01 | 90.65 | 90.06 | 0.002 | 0.000 |
Ta4N3H2 | 2.58 | 90.53 | 90.07 | 0.001 | 0.000 |
Ta4N3O2 | 4.14 | 91.24 | 90.15 | 0.005 | 0.000 |
TaCrN(OCN)2 | 8.35 | 93.03 | 90.27 | 0.079 | 0.004 |
TaCrN(SCN)2 | 12.63 | 93.42 | 90.40 | 0.194 | 0.008 |
TaCrNBr2 | 14.93 | 94.33 | 90.44 | 0.311 | 0.010 |
TaCrNCl2 | 10.40 | 93.59 | 90.39 | 0.148 | 0.006 |
TaCrNF2 | 2.97 | 90.75 | 90.08 | 0.011 | 0.001 |
TaMoN(NCO)2 | 6.40 | 92.29 | 90.23 | 0.048 | 0.003 |
TaMoN(NCS)2 | 20.71 | 90.38 | 90.91 | 0.598 | 0.055 |
TaMoN(SCN)2 | 11.66 | 91.79 | 90.28 | 0.147 | 0.010 |
TaMoNBr2 | 12.17 | 94.00 | 90.40 | 0.215 | 0.007 |
TaMoNCl2 | 8.36 | 92.96 | 90.30 | 0.099 | 0.005 |
TaMoNF2 | 3.02 | 90.73 | 90.09 | 0.012 | 0.001 |
TaWN(CN)2 | 3.62 | 91.07 | 90.13 | 0.017 | 0.001 |
TaWN(NCO)2 | 6.51 | 92.34 | 90.25 | 0.049 | 0.003 |
TaWNBr2 | 13.01 | 94.16 | 90.45 | 0.245 | 0.008 |
TaWNCl2 | 9.74 | 93.43 | 90.34 | 0.131 | 0.005 |
Ti0.4Nb1.6C | 6.34 | 91.05 | 90.09 | 5.807 | 0.446 |
Ti0.8Nb1.2C | 9.84 | 91.83 | 90.16 | 13.763 | 0.895 |
Ti1.2Nb0.8C | 15.37 | 89.35 | 90.11 | 36.107 | 3.984 |
Ti1.5Nb0.5C | 3.56 | 90.35 | 89.95 | 2.773 | 0.257 |
Ti1.6Nb0.4C | 5.14 | 88.37 | 89.76 | 6.479 | 0.883 |
Ti10C9F2 | 6.41 | 91.89 | 90.27 | 0.970 | 0.060 |
Ti10N9F2 | 4.49 | 91.43 | 90.07 | 0.442 | 0.032 |
Ti2C | 2.10 | 90.48 | 90.20 | 0.947 | 0.084 |
Ti2C(OH)2 | 3.60 | 91.12 | 90.09 | 1.513 | 0.117 |
Ti2CCI2 | 2.29 | 90.63 | 90.16 | 0.548 | 0.048 |
Ti2CF2 | 2.50 | 90.69 | 90.09 | 0.766 | 0.066 |
Ti2CF2-(model2) | 4.01 | 91.07 | 90.02 | 2.418 | 0.190 |
Ti2CF2-(model3) | 4.04 | 90.87 | 90.10 | 2.716 | 0.218 |
Ti2CF2-(model4) | 5.72 | 91.37 | 90.13 | 6.095 | 0.434 |
Ti2CO0.11F1.89 | 3.15 | 90.73 | 90.14 | 1.260 | 0.107 |
Ti2CO0.44F1.56 | 3.37 | 90.82 | 90.11 | 1.475 | 0.121 |
Ti2CO0.67F1.33 | 3.42 | 90.87 | 90.02 | 1.512 | 0.123 |
Ti2CO0.89F1.11 | 3.61 | 90.88 | 90.17 | 1.704 | 0.140 |
Ti2CO1.33F0.67 | 3.57 | 90.92 | 90.07 | 1.674 | 0.132 |
Ti2CO2 | 3.05 | 90.90 | 90.11 | 1.276 | 0.103 |
Ti2CO2-(model2) | 3.54 | 91.02 | 90.06 | 1.699 | 0.134 |
Ti2CO2-(model3) | 3.49 | 90.87 | 90.10 | 1.985 | 0.160 |
Ti2CrCN | 8.20 | 92.14 | 90.20 | 9.004 | 0.534 |
Ti2CrCNO2 | 10.59 | 93.56 | 90.36 | 9.492 | 0.373 |
Ti2HfCN | 8.19 | 92.27 | 90.22 | 5.125 | 0.300 |
Ti2HfCNO2 | 11.35 | 93.63 | 90.50 | 6.442 | 0.249 |
Ti2MoCN | 8.09 | 92.16 | 90.18 | 6.937 | 0.411 |
Ti2MoCNO2 | 10.65 | 93.58 | 90.37 | 7.794 | 0.309 |
Ti2N | 1.76 | 90.39 | 90.12 | 0.587 | 0.053 |
Ti2N(OH)2 | 3.37 | 91.07 | 90.16 | 1.306 | 0.104 |
Ti2Nb2C3 | 4.63 | 91.25 | 90.12 | 1.735 | 0.128 |
Ti2NbC2 | 2.47 | 90.62 | 90.04 | 0.626 | 0.053 |
Ti2NbCN | 8.25 | 92.17 | 90.20 | 7.326 | 0.430 |
Ti2NbCNO2 | 10.80 | 93.57 | 90.37 | 8.040 | 0.312 |
Ti2NF2 | 2.29 | 90.62 | 90.01 | 0.632 | 0.054 |
Ti2NF2-(model2) | 4.12 | 91.07 | 90.04 | 2.437 | 0.191 |
Ti2NO2 | 2.88 | 90.89 | 90.05 | 1.041 | 0.084 |
Ti2NO2-(model4) | 4.21 | 90.95 | 90.12 | 3.726 | 0.302 |
Ti2NS2 | 2.39 | 90.67 | 90.04 | 0.567 | 0.048 |
Ti2Ta2C3 | 4.48 | 91.25 | 90.20 | 0.013 | 0.001 |
Ti2TaC2 | 2.38 | 90.58 | 90.08 | 0.007 | 0.001 |
Ti2TaCN | 8.67 | 92.26 | 90.26 | 0.096 | 0.006 |
Ti2TaCNO2 | 10.87 | 93.63 | 90.41 | 0.111 | 0.004 |
Ti2VC2 | 2.72 | 90.65 | 90.02 | 0.902 | 0.078 |
Ti2VCN | 8.00 | 92.11 | 90.20 | 8.669 | 0.540 |
Ti2VCNO2 | 10.56 | 93.54 | 90.37 | 9.437 | 0.374 |
Ti2ZrCN | 8.21 | 92.24 | 90.24 | 7.216 | 0.414 |
Ti2ZrCNO2 | 10.99 | 93.61 | 90.33 | 8.253 | 0.321 |
Ti3C2 | 2.74 | 90.60 | 90.01 | 1.023 | 0.088 |
Ti3C2(O0.13F0.83(OH)1.04) | 10.05 | 92.24 | 90.33 | 7.977 | 0.469 |
Ti3C2(O0.1F1.1(OH)0.8) | 13.02 | 92.56 | 90.24 | 13.004 | 0.681 |
Ti3C2(O0.7F1.3) | 5.19 | 91.55 | 90.09 | 2.119 | 0.147 |
Ti3C2(OH)2 | 5.39 | 90.89 | 90.19 | 2.059 | 0.165 |
Ti3C2Br2 | 3.86 | 91.00 | 90.09 | 0.722 | 0.056 |
Ti3C2CI2 | 3.23 | 90.88 | 90.20 | 0.673 | 0.055 |
Ti3C2F2 | 3.10 | 90.87 | 90.13 | 0.752 | 0.061 |
Ti3C2O2 | 3.97 | 91.17 | 90.16 | 1.327 | 0.101 |
Ti3C2Se2 | 2.77 | 90.61 | 90.05 | 0.334 | 0.029 |
Ti3C2Te2 | 2.64 | 90.40 | 90.06 | 0.221 | 0.020 |
Ti3CN | 5.70 | 91.52 | 90.17 | 4.687 | 0.330 |
Ti3CNF2 | 11.02 | 93.49 | 90.44 | 11.805 | 0.472 |
Ti3CNO2 | 8.81 | 93.09 | 90.24 | 7.035 | 0.321 |
Ti3N2(OH)3 | 4.91 | 90.92 | 90.04 | 1.571 | 0.129 |
Ti3N2 | 2.15 | 90.50 | 90.03 | 0.539 | 0.048 |
Ti3N2F2 | 2.85 | 90.78 | 90.01 | 0.556 | 0.045 |
Ti3N2H2 | 3.70 | 91.07 | 90.17 | 1.096 | 0.086 |
Ti3N2O2 | 3.51 | 91.08 | 90.01 | 0.966 | 0.077 |
Ti4C3 | 2.82 | 90.53 | 90.02 | 0.843 | 0.074 |
Ti4C3(OH)2 | 4.38 | 91.01 | 90.12 | 1.168 | 0.093 |
Ti4C3F2 | 3.02 | 90.74 | 90.10 | 0.592 | 0.049 |
Ti4C3H2 | 2.48 | 90.65 | 89.95 | 0.389 | 0.033 |
Ti4C3O2 | 3.88 | 91.11 | 90.19 | 1.040 | 0.080 |
Ti4N3 | 2.11 | 90.38 | 90.03 | 0.392 | 0.036 |
Ti4N3(OH)2 | 5.88 | 92.06 | 90.20 | 2.045 | 0.124 |
Ti4N3F2 | 2.74 | 90.67 | 90.03 | 0.443 | 0.038 |
Ti4N3H2 | 2.48 | 90.61 | 90.06 | 0.363 | 0.032 |
Ti4N3O2 | 3.30 | 90.85 | 90.09 | 0.706 | 0.057 |
Ti5C4 (OH)2 | 5.15 | 90.99 | 90.19 | 1.244 | 0.100 |
Ti5C4F2 | 3.25 | 90.77 | 90.13 | 0.540 | 0.046 |
Ti5C4O2 | 4.27 | 91.31 | 90.25 | 0.996 | 0.074 |
Ti5N4F2 | 3.67 | 91.05 | 90.08 | 0.671 | 0.053 |
Ti6C5F2 | 6.58 | 92.31 | 90.30 | 1.887 | 0.105 |
Ti6N5F2 | 4.89 | 91.40 | 90.12 | 0.867 | 0.063 |
Ti7C6F2 | 5.00 | 91.56 | 89.96 | 0.821 | 0.057 |
Ti7N6F2 | 4.16 | 91.13 | 90.19 | 0.496 | 0.039 |
Ti8C7F2 | 5.87 | 91.49 | 90.25 | 0.959 | 0.065 |
Ti8N7F2 | 4.30 | 91.13 | 89.98 | 0.467 | 0.037 |
Ti9C8F2 | 5.97 | 91.87 | 90.25 | 0.942 | 0.060 |
Ti9N8F2 | 4.10 | 91.36 | 90.08 | 0.415 | 0.030 |
TiCrCO2 | 3.18 | 90.96 | 90.13 | 1.235 | 0.100 |
TiHfCO2 | 3.37 | 91.02 | 90.10 | 0.746 | 0.059 |
TiHfN(NO)2 | 2.65 | 90.52 | 90.09 | 0.515 | 0.045 |
TiMoCO2 | 2.83 | 90.91 | 90.04 | 0.784 | 0.064 |
TiNbC | 1.82 | 90.35 | 90.03 | 0.679 | 0.063 |
TiVC | 1.88 | 90.38 | 90.06 | 0.986 | 0.089 |
TiWCO2 | 2.89 | 90.87 | 90.00 | 0.559 | 0.046 |
TiZrCO2 | 3.37 | 90.98 | 90.11 | 1.279 | 0.103 |
V2C | 2.40 | 90.55 | 90.07 | 1.107 | 0.097 |
V2C(OH)2 | 3.94 | 91.26 | 90.07 | 1.719 | 0.125 |
V2CBr2 | 2.08 | 90.51 | 89.93 | 0.322 | 0.029 |
V2CF(OH) | 3.08 | 90.94 | 90.11 | 1.235 | 0.099 |
V2CF2 | 2.66 | 90.78 | 90.06 | 0.834 | 0.068 |
V2CO2 | 3.37 | 91.02 | 90.01 | 1.397 | 0.110 |
V2CrCN | 8.24 | 92.14 | 90.20 | 8.815 | 0.511 |
V2CrCNO2 | 9.06 | 93.14 | 90.33 | 6.328 | 0.282 |
V2HfCN | 8.43 | 92.26 | 90.26 | 5.194 | 0.295 |
V2HfCNO2 | 9.67 | 93.19 | 90.22 | 4.391 | 0.193 |
V2MoCN | 8.14 | 92.17 | 90.30 | 6.896 | 0.409 |
V2MoCNO2 | 9.28 | 93.14 | 90.31 | 5.429 | 0.245 |
V2N | 1.90 | 90.51 | 89.99 | 0.648 | 0.057 |
V2N(OH)2 | 3.26 | 91.07 | 90.06 | 1.226 | 0.094 |
V2Nb2C3 | 4.74 | 91.31 | 90.11 | 1.782 | 0.130 |
V2NbCN | 8.37 | 92.15 | 90.28 | 7.314 | 0.432 |
V2NbCNO2 | 9.35 | 93.18 | 90.42 | 5.595 | 0.248 |
V2NF2 | 2.32 | 90.66 | 89.98 | 0.637 | 0.056 |
V2NO2 | 2.95 | 90.85 | 90.13 | 1.057 | 0.088 |
V2Ta2C3 | 4.13 | 91.10 | 90.15 | 0.012 | 0.001 |
V2TaC2 | 4.00 | 90.97 | 90.10 | 0.022 | 0.002 |
V2TaCN | 8.69 | 92.30 | 90.25 | 0.097 | 0.006 |
V2TaCNO2 | 9.55 | 93.25 | 90.36 | 0.081 | 0.004 |
V2Ti2C3 | 5.42 | 91.46 | 90.18 | 3.226 | 0.229 |
V2TiC2 | 4.73 | 91.23 | 90.16 | 3.145 | 0.236 |
V2TiCN | 7.99 | 92.11 | 90.21 | 8.421 | 0.503 |
V2TiCNO2 | 9.25 | 93.09 | 90.38 | 6.625 | 0.302 |
V2ZrCN | 8.28 | 92.25 | 90.23 | 7.099 | 0.404 |
V2ZrCNO2 | 9.47 | 93.20 | 90.30 | 5.749 | 0.256 |
V3C2 | 3.26 | 90.71 | 90.13 | 1.343 | 0.113 |
V3C2(OH)2 | 6.49 | 91.24 | 90.24 | 2.651 | 0.200 |
V3C2Br2 | 2.94 | 90.73 | 90.06 | 0.370 | 0.032 |
V3C2CI2 | 4.46 | 91.35 | 90.10 | 1.353 | 0.098 |
V3C2F2 | 3.68 | 91.05 | 90.20 | 0.876 | 0.068 |
V3C2O2 | 4.50 | 91.42 | 90.18 | 1.547 | 0.109 |
V3CN | 5.98 | 91.60 | 90.16 | 4.862 | 0.330 |
V3CNO2 | 8.97 | 93.12 | 90.33 | 7.157 | 0.328 |
V3N2 | 2.35 | 90.63 | 89.97 | 0.516 | 0.043 |
V3N2(OH)2 | 6.45 | 91.03 | 90.16 | 2.394 | 0.193 |
V3N2F2 | 3.50 | 90.98 | 90.07 | 0.689 | 0.054 |
V3N2H2 | 3.71 | 91.09 | 90.18 | 1.045 | 0.079 |
V3N2O2 | 3.82 | 91.21 | 90.14 | 1.035 | 0.077 |
V4C3 | 3.46 | 90.77 | 90.01 | 1.117 | 0.094 |
V4C3(OH)2 | 6.07 | 91.63 | 90.16 | 1.952 | 0.134 |
V4C3F2 | 3.30 | 90.90 | 90.04 | 0.646 | 0.053 |
V4C3H2 | 2.71 | 90.58 | 90.04 | 0.440 | 0.038 |
V4C3O2 | 4.27 | 91.34 | 90.18 | 1.170 | 0.085 |
V4N3 | 2.40 | 90.38 | 90.04 | 0.501 | 0.046 |
V4N3(OH)2 | 4.09 | 91.14 | 90.15 | 0.953 | 0.073 |
V4N3F2 | 2.75 | 90.66 | 90.10 | 0.449 | 0.038 |
V4N3H2 | 2.43 | 90.64 | 89.92 | 0.326 | 0.028 |
V4N3O2 | 3.42 | 90.92 | 90.13 | 0.721 | 0.059 |
VCrN(NCS)2 | 21.86 | 87.03 | 91.45 | 49.739 | 8.540 |
VCrN(SCN)2 | 14.79 | 93.30 | 90.48 | 19.390 | 0.824 |
VCrNBr2 | 18.26 | 94.53 | 90.56 | 29.668 | 0.809 |
VCrNF2 | 2.74 | 90.81 | 90.07 | 0.894 | 0.076 |
VMoN(NCO)2 | 7.82 | 92.80 | 90.32 | 5.101 | 0.255 |
VMoN(NCS)2 | 21.51 | 88.57 | 91.25 | 41.419 | 5.434 |
VMoN(OCN)2 | 9.03 | 93.22 | 90.37 | 6.862 | 0.303 |
VMoN(SCN)2 | 13.40 | 93.12 | 90.40 | 13.641 | 0.615 |
VMoNBr2 | 15.67 | 94.41 | 90.47 | 19.464 | 0.567 |
VMoNCI2 | 11.03 | 93.71 | 90.36 | 12.635 | 0.465 |
VNbC | 1.81 | 90.35 | 89.99 | 0.659 | 0.060 |
VNbCF2-(model4) | 3.30 | 90.76 | 90.10 | 1.339 | 0.111 |
VWN(NCO)2 | 6.61 | 92.40 | 90.25 | 2.758 | 0.154 |
VWN(OCN)2 | 8.95 | 93.20 | 90.29 | 5.033 | 0.222 |
VWNBr2 | 15.15 | 94.42 | 90.44 | 14.395 | 0.417 |
VWNCI2 | 11.30 | 93.80 | 90.36 | 9.790 | 0.353 |
VWNF2 | 2.86 | 90.83 | 90.08 | 0.582 | 0.049 |
W1.33C | 23.76 | 45.46 | 64.41 | 28.361 | 119.684 |
W1.33C(OH)2 | 4.42 | 91.29 | 90.14 | 1.195 | 0.089 |
W1.33CO2 | 4.05 | 90.94 | 90.09 | 1.089 | 0.086 |
W2C | 3.37 | 90.70 | 90.17 | 0.651 | 0.055 |
W2C(OH)2 | 4.93 | 91.36 | 90.18 | 0.858 | 0.063 |
W2CCl2 | 10.73 | 93.63 | 90.35 | 6.816 | 0.259 |
W2CF2 | 3.14 | 90.98 | 90.16 | 0.341 | 0.028 |
W2CO2 | 3.28 | 90.88 | 90.11 | 0.536 | 0.044 |
W2Hf2C3O2 | 4.53 | 91.31 | 90.10 | 0.440 | 0.032 |
W2HfC2 | 2.32 | 90.62 | 90.04 | 0.204 | 0.018 |
W2HfC2O2 | 5.61 | 91.60 | 90.21 | 0.816 | 0.055 |
W2N | 2.73 | 90.70 | 90.06 | 0.370 | 0.031 |
W2N(OH)2 | 5.70 | 91.50 | 90.22 | 1.046 | 0.074 |
W2NF2 | 3.14 | 90.99 | 90.18 | 0.315 | 0.025 |
W2NO2 | 3.69 | 91.23 | 90.06 | 0.507 | 0.038 |
W2Ti2C3O2 | 4.59 | 91.45 | 90.23 | 0.662 | 0.047 |
W2TiC2O2 | 5.62 | 91.79 | 90.26 | 1.086 | 0.071 |
W2Zr2C3O2 | 4.50 | 91.34 | 90.18 | 0.560 | 0.042 |
W2ZrC2 | 2.44 | 90.61 | 90.02 | 0.259 | 0.022 |
W2ZrC2O2 | 4.98 | 91.75 | 90.16 | 0.893 | 0.059 |
W3C2 | 4.45 | 91.25 | 90.11 | 0.714 | 0.051 |
W3C2(OH)2 | 8.75 | 90.36 | 90.19 | 1.487 | 0.135 |
W3C2F2 | 4.39 | 90.83 | 90.10 | 0.381 | 0.031 |
W3C2O2 | 5.09 | 91.39 | 90.08 | 0.651 | 0.047 |
W3N2 | 3.33 | 90.91 | 90.14 | 0.323 | 0.026 |
W3N2(OH)2 | 9.59 | 90.00 | 90.18 | 1.650 | 0.163 |
W3N2F2 | 4.47 | 90.71 | 90.08 | 0.351 | 0.030 |
W3N2O2 | 5.52 | 91.11 | 90.22 | 0.608 | 0.046 |
W4C3 | 4.65 | 91.29 | 90.18 | 0.743 | 0.056 |
W4C3(OH)2 | 4.45 | 91.04 | 90.08 | 0.408 | 0.032 |
W4C3F2 | 3.20 | 90.76 | 90.20 | 0.227 | 0.019 |
W4C3H2 | 3.74 | 91.05 | 90.16 | 0.342 | 0.027 |
W4C3O2 | 4.19 | 91.31 | 90.13 | 0.428 | 0.031 |
W4N3 | 3.53 | 90.81 | 90.13 | 0.376 | 0.031 |
W4N3(OH)2 | 5.63 | 91.95 | 90.27 | 0.673 | 0.043 |
W4N3F2 | 4.70 | 91.39 | 90.13 | 0.565 | 0.040 |
W4N3H2 | 3.39 | 90.84 | 90.13 | 0.256 | 0.021 |
W4N3O2 | 3.35 | 90.85 | 90.15 | 0.294 | 0.024 |
WCrC | 2.12 | 90.49 | 89.97 | 0.435 | 0.039 |
WCrCO2-(model4) | 3.43 | 90.99 | 90.07 | 0.822 | 0.066 |
Y2C | 2.05 | 90.48 | 89.87 | 0.655 | 0.057 |
Y2C(CN)2 | 4.34 | 91.39 | 90.15 | 1.795 | 0.132 |
Y2C(NCO)2 | 5.49 | 91.84 | 90.17 | 2.718 | 0.177 |
Y2C(NCS)2 | 17.59 | 87.89 | 90.51 | 24.500 | 3.597 |
Y2C(OCI)2 | 7.73 | 92.85 | 90.32 | 5.243 | 0.260 |
Y2C(OCN)2 | 5.99 | 92.02 | 90.25 | 3.197 | 0.197 |
Y2C(OH)2 | 2.65 | 90.63 | 90.06 | 0.644 | 0.055 |
Y2C(SCN)2 | 9.42 | 92.41 | 90.26 | 7.210 | 0.397 |
Y2CBr2 | 6.34 | 92.26 | 90.25 | 3.407 | 0.196 |
Y2CCl2 | 5.81 | 92.06 | 90.18 | 3.723 | 0.225 |
Y2CF2 | 2.81 | 90.68 | 90.12 | 0.809 | 0.070 |
Y2CO2 | 4.04 | 90.89 | 90.12 | 1.889 | 0.153 |
Y2N | 1.90 | 90.46 | 90.08 | 0.512 | 0.045 |
Y2N(OH)2 | 2.74 | 90.77 | 90.06 | 0.650 | 0.054 |
Y2NF2 | 2.56 | 90.72 | 89.98 | 0.616 | 0.052 |
Y2NO2 | 3.65 | 90.72 | 90.17 | 1.498 | 0.127 |
Y3C2 | 2.82 | 90.72 | 90.06 | 0.587 | 0.049 |
Y3C2(OH)2 | 4.05 | 90.09 | 90.01 | 0.771 | 0.074 |
Y3C2F2 | 3.56 | 90.73 | 90.07 | 0.708 | 0.059 |
Y3C2O2 | 4.72 | 90.75 | 90.07 | 1.059 | 0.088 |
Y3N2 | 2.54 | 90.70 | 90.11 | 0.450 | 0.039 |
Y3N2(OH)2 | 4.65 | 90.73 | 90.08 | 1.040 | 0.088 |
Y3N2F2 | 3.80 | 90.94 | 90.09 | 0.763 | 0.061 |
Y3N2O2 | 4.18 | 90.72 | 90.15 | 0.813 | 0.068 |
Y4C3 | 2.90 | 90.62 | 90.13 | 0.621 | 0.055 |
Y4C3(OH)2 | 3.90 | 90.12 | 90.05 | 0.582 | 0.056 |
Y4C3F2 | 3.81 | 90.83 | 90.10 | 0.661 | 0.055 |
Y4C3O2 | 6.09 | 91.89 | 90.15 | 1.944 | 0.125 |
Y4N3 | 2.29 | 90.31 | 90.07 | 0.381 | 0.034 |
Y4N3(OH)2 | 3.53 | 90.63 | 90.08 | 0.525 | 0.045 |
Y4N3F2 | 3.89 | 91.06 | 90.09 | 0.825 | 0.065 |
Y4N3O2 | 3.73 | 91.01 | 90.12 | 0.674 | 0.054 |
YCrC(NCO)2 | 6.18 | 92.16 | 90.21 | 3.439 | 0.207 |
YCrC(NCS)2 | 19.99 | 90.72 | 90.80 | 37.524 | 3.109 |
YCrC(OCN)2 | 7.40 | 92.67 | 90.25 | 4.965 | 0.265 |
YCrC(OH)2 | 3.83 | 91.16 | 90.14 | 1.360 | 0.104 |
YCrCBr2 | 10.37 | 93.61 | 90.38 | 9.410 | 0.366 |
YCrCCl2 | 7.69 | 92.76 | 90.19 | 7.021 | 0.352 |
YCrCF2 | 3.41 | 90.94 | 90.12 | 1.228 | 0.099 |
YHfN(SCN)2 | 9.81 | 92.97 | 90.34 | 6.101 | 0.287 |
YHfNO2 | 3.14 | 90.91 | 90.09 | 0.607 | 0.049 |
YMoN(NO)2 | 2.64 | 90.54 | 90.11 | 0.622 | 0.055 |
YNbCO2 | 3.14 | 90.81 | 90.07 | 0.989 | 0.082 |
YTaCO2 | 3.12 | 90.73 | 90.13 | 0.012 | 0.001 |
YTiN(NO)2 | 3.01 | 90.70 | 90.11 | 0.944 | 0.081 |
YTiNO2 | 3.05 | 90.87 | 90.07 | 0.929 | 0.076 |
YVCO2 | 3.03 | 90.79 | 90.00 | 1.102 | 0.090 |
YVNF2 | 2.97 | 90.94 | 90.13 | 0.860 | 0.070 |
YZrNO2 | 3.22 | 90.86 | 90.15 | 0.870 | 0.070 |
Zr2C | 2.40 | 90.48 | 90.19 | 0.805 | 0.072 |
Zr2C(OH)2 | 3.10 | 90.90 | 89.96 | 0.763 | 0.062 |
Zr2CF2 | 2.58 | 90.69 | 90.05 | 0.584 | 0.049 |
Zr2CF2-(model2) | 3.02 | 90.84 | 90.09 | 0.821 | 0.068 |
Zr2CF2-(model3) | 2.92 | 90.56 | 89.97 | 1.072 | 0.094 |
Zr2CO2 | 3.32 | 90.77 | 90.14 | 1.095 | 0.091 |
Zr2CrCN | 6.60 | 91.81 | 90.21 | 3.615 | 0.235 |
Zr2CrCNO2 | 8.25 | 92.73 | 90.31 | 3.529 | 0.181 |
Zr2HfCN | 6.59 | 91.96 | 90.19 | 2.347 | 0.148 |
Zr2HfCNO2 | 8.86 | 92.70 | 90.31 | 2.748 | 0.141 |
Zr2MoCN | 6.50 | 91.92 | 90.06 | 2.953 | 0.188 |
Zr2MoCNO2 | 8.57 | 92.67 | 90.29 | 3.213 | 0.163 |
Zr2N | 2.09 | 90.50 | 90.17 | 0.562 | 0.049 |
Zr2N(OH)2 | 3.10 | 90.87 | 90.04 | 0.728 | 0.059 |
Zr2NbCN | 6.45 | 91.88 | 90.21 | 2.992 | 0.195 |
Zr2NbCNO2 | 8.43 | 92.76 | 90.23 | 3.216 | 0.166 |
Zr2NF2 | 2.41 | 90.60 | 90.13 | 0.497 | 0.043 |
Zr2NF2-(model2) | 3.08 | 90.69 | 89.97 | 1.012 | 0.086 |
Zr2NF2-(model4) | 2.97 | 90.90 | 90.06 | 0.737 | 0.060 |
Zr2NO2 | 2.94 | 90.78 | 90.04 | 0.801 | 0.067 |
Zr2TaCN | 6.62 | 91.89 | 90.19 | 0.052 | 0.003 |
Zr2TaCNO2 | 8.73 | 92.74 | 90.30 | 0.062 | 0.003 |
Zr2TiCN | 6.56 | 91.84 | 90.28 | 3.577 | 0.229 |
Zr2TiCNO2 | 8.45 | 92.70 | 90.35 | 3.668 | 0.182 |
Zr2VCN | 6.45 | 91.84 | 90.20 | 3.496 | 0.224 |
Zr2VCNO2 | 8.17 | 92.71 | 90.35 | 3.505 | 0.183 |
Zr3C2 | 3.07 | 90.62 | 90.07 | 0.821 | 0.072 |
Zr3C2(OH)2 | 4.25 | 90.44 | 90.07 | 0.841 | 0.075 |
Zr3C2F2 | 3.22 | 90.82 | 89.99 | 0.545 | 0.045 |
Zr3C2H2 | 2.89 | 90.49 | 90.14 | 0.375 | 0.033 |
Zr3C2O2 | 4.21 | 91.19 | 90.21 | 1.045 | 0.081 |
Zr3CN | 3.76 | 90.88 | 90.08 | 1.146 | 0.094 |
Zr3CNO2 | 5.45 | 91.75 | 90.28 | 1.708 | 0.115 |
Zr3N2(OH)3 | 4.67 | 90.45 | 90.06 | 0.899 | 0.081 |
Zr3N2 | 2.53 | 90.63 | 89.91 | 0.465 | 0.041 |
Zr3N2F2 | 3.07 | 90.75 | 90.04 | 0.421 | 0.036 |
Zr3N2H2 | 2.97 | 90.54 | 90.11 | 0.388 | 0.034 |
Zr3N2O2 | 3.85 | 91.03 | 90.14 | 0.806 | 0.061 |
Zr4C3 | 3.29 | 90.78 | 90.10 | 0.730 | 0.061 |
Zr4C3(OH)2 | 4.07 | 90.54 | 90.12 | 0.617 | 0.054 |
Zr4C3F2 | 3.27 | 90.73 | 90.09 | 0.452 | 0.038 |
Zr4C3H2 | 3.87 | 91.02 | 90.14 | 0.616 | 0.048 |
Zr4C3O2 | 4.52 | 91.38 | 90.15 | 0.947 | 0.068 |
Zr4N3 | 2.53 | 90.45 | 90.06 | 0.369 | 0.033 |
Zr4N3(OH)2 | 4.01 | 90.56 | 90.02 | 0.561 | 0.048 |
Zr4N3F2 | 2.93 | 90.65 | 90.06 | 0.335 | 0.029 |
Zr4N3O2 | 3.86 | 91.08 | 90.11 | 0.651 | 0.051 |
ZrCrNO2 | 3.24 | 90.94 | 90.11 | 0.973 | 0.078 |
ZrHfCO2 | 3.06 | 90.88 | 90.02 | 0.572 | 0.046 |
ZrMoCO2 | 2.61 | 90.75 | 90.07 | 0.589 | 0.050 |