Table 7. Single gas (CO2 or H2) adsorption performance of MXene structures having short interlayer distance at 35ºC and 0.1, 1, and 10 bar.
MXene | CO2/H2 Selectivity | %R | APS | ||
10 bar | PSA | VSA | PSA | VSA | |
(CrV)3C2 | 7.81 | 92.03 | 90.28 | 5.271 | 0.316 |
(Mo0.66Y0.33)2CO2 | 4.69 | 91.01 | 90.10 | 1.405 | 0.112 |
(TiV)3C2 | 7.48 | 91.49 | 90.15 | 5.170 | 0.374 |
(TiV)C(OH)2 | 7.42 | 90.79 | 90.04 | 4.699 | 0.390 |
(TiV)CF2 | 4.15 | 91.31 | 90.16 | 1.770 | 0.129 |
(TiV)CO2 | 4.66 | 91.17 | 90.14 | 2.096 | 0.161 |
(W0.66Y0.33)2CO2 | 16.93 | 84.97 | 89.91 | 6.868 | 1.639 |
Cr2C | 3.21 | 91.00 | 90.04 | 1.504 | 0.118 |
Cr2C(OH)2 | 6.76 | 90.35 | 90.05 | 3.541 | 0.329 |
Cr2CBr2 | 16.71 | 84.94 | 90.57 | 18.950 | 4.461 |
Cr2CCl2 | 15.48 | 89.42 | 90.44 | 23.330 | 2.570 |
Cr2CF2 | 3.52 | 90.89 | 90.08 | 1.108 | 0.091 |
Cr2CFCl | 6.26 | 91.75 | 90.29 | 3.426 | 0.223 |
Cr2CH2 | 2.52 | 90.20 | 90.02 | 0.585 | 0.055 |
Cr2CO2 | 6.78 | 91.59 | 90.18 | 3.692 | 0.250 |
Cr2CS2 | 16.82 | 65.67 | 90.49 | 23.415 | 36.598 |
Cr2HfCN | 13.93 | 93.81 | 90.45 | 11.303 | 0.421 |
Cr2HfCNO2 | 16.43 | 86.30 | 90.45 | 9.822 | 1.890 |
Cr2MoCN | 13.97 | 93.92 | 90.43 | 15.787 | 0.548 |
Cr2MoCNO2 | 15.97 | 87.84 | 90.52 | 12.760 | 1.895 |
Cr2N | 2.37 | 90.66 | 90.17 | 0.639 | 0.054 |
Cr2N(OH)2 | 6.22 | 90.37 | 90.06 | 2.881 | 0.266 |
Cr2Nb2C3 | 8.02 | 92.89 | 90.28 | 4.024 | 0.196 |
Cr2NbCN | 14.00 | 93.95 | 90.43 | 16.187 | 0.566 |
Cr2NbCNO2 | 15.95 | 87.69 | 90.54 | 12.960 | 1.986 |
Cr2NF2 | 3.06 | 90.62 | 90.00 | 0.739 | 0.064 |
Cr2NH2 | 2.81 | 90.22 | 89.97 | 0.650 | 0.062 |
Cr2NO2 | 4.09 | 91.01 | 90.21 | 1.463 | 0.115 |
Cr2Ta2C3 | 6.46 | 92.27 | 90.19 | 0.024 | 0.001 |
Cr2TaC2 | 3.15 | 90.90 | 90.03 | 0.009 | 0.001 |
Cr2TaCN | 14.52 | 93.94 | 90.49 | 0.210 | 0.007 |
Cr2TaCNO2 | 16.10 | 87.39 | 90.43 | 0.183 | 0.030 |
Cr2Ti2C3 | 9.64 | 93.36 | 90.31 | 8.075 | 0.338 |
Cr2TiC2 | 3.83 | 91.19 | 90.11 | 1.266 | 0.095 |
Cr2TiC2(OH)2 | 14.39 | 85.57 | 90.00 | 9.712 | 2.055 |
Cr2TiC2F2 | 15.46 | 91.63 | 90.44 | 16.875 | 1.133 |
Cr2TiC2O2 | 13.29 | 90.03 | 90.37 | 10.994 | 1.081 |
Cr2TiCN | 14.42 | 94.07 | 90.43 | 22.094 | 0.728 |
Cr2TiCNO2 | 16.08 | 88.36 | 90.45 | 16.010 | 2.187 |
Cr2V2C3 | 10.23 | 93.49 | 90.37 | 8.747 | 0.352 |
Cr2VC2 | 3.81 | 91.16 | 89.99 | 1.229 | 0.094 |
Cr2VCN | 14.44 | 94.09 | 90.42 | 21.876 | 0.729 |
Cr2VCNO2 | 16.13 | 88.47 | 90.51 | 15.895 | 2.080 |
Cr2ZrCN | 14.01 | 93.83 | 90.56 | 15.857 | 0.569 |
Cr2ZrCNO2 | 16.44 | 86.82 | 90.49 | 13.375 | 2.437 |
Cr3C2 | 4.87 | 91.68 | 90.18 | 2.356 | 0.159 |
Cr3C2(OH)2 | 10.11 | 88.37 | 89.99 | 4.617 | 0.637 |
Cr3C2F2 | 5.80 | 90.40 | 90.02 | 1.592 | 0.145 |
Cr3C2H2 | 6.51 | 90.57 | 90.16 | 2.388 | 0.206 |
Cr3C2O2 | 8.01 | 90.46 | 90.18 | 3.385 | 0.295 |
Cr3CN | 14.02 | 93.98 | 90.40 | 20.156 | 0.691 |
Cr3CNO2 | 16.34 | 89.55 | 90.51 | 17.114 | 1.828 |
Cr3N2 | 3.23 | 91.01 | 89.95 | 0.695 | 0.056 |
Cr3N2(OH)2 | 16.86 | 78.52 | 90.12 | 13.790 | 6.985 |
Cr3N2H2 | 7.52 | 91.17 | 90.31 | 3.386 | 0.252 |
Cr3N2O2 | 9.36 | 89.92 | 90.12 | 3.700 | 0.369 |
Cr4C3 | 5.26 | 91.70 | 90.23 | 2.249 | 0.152 |
Cr4C3(OH)2 | 9.15 | 89.71 | 90.16 | 3.456 | 0.365 |
Cr4C3F2 | 4.94 | 90.73 | 90.05 | 1.089 | 0.092 |
Cr4C3H2 | 5.74 | 90.86 | 90.10 | 1.570 | 0.128 |
Cr4C3O2 | 7.37 | 90.92 | 90.23 | 2.496 | 0.206 |
Cr4N3 | 3.04 | 90.84 | 90.11 | 0.682 | 0.056 |
Cr4N3(OH)2 | 7.87 | 89.77 | 90.08 | 2.405 | 0.246 |
Cr4N3F2 | 4.12 | 90.57 | 90.11 | 0.707 | 0.062 |
Cr4N3H2 | 4.88 | 91.06 | 90.16 | 1.036 | 0.079 |
Cr4N3O2 | 5.57 | 90.72 | 90.03 | 1.330 | 0.112 |
CrMoCF2 | 4.17 | 91.27 | 90.09 | 1.343 | 0.100 |
CrWCF2 | 4.77 | 91.49 | 90.09 | 1.221 | 0.088 |
Hf2C | 3.12 | 91.01 | 90.13 | 0.542 | 0.043 |
Hf2C(OH)2 | 6.06 | 89.86 | 89.99 | 1.073 | 0.108 |
Hf2CF2 | 3.72 | 90.62 | 90.05 | 0.480 | 0.041 |
Hf2CF2 -(model2) | 3.97 | 90.97 | 89.96 | 0.604 | 0.047 |
Hf2CF2 -(model3) | 3.42 | 91.10 | 90.05 | 0.668 | 0.052 |
Hf2CF2 -(model4) | 3.33 | 91.01 | 90.08 | 0.570 | 0.045 |
Hf2CO2 | 5.36 | 91.32 | 90.08 | 1.148 | 0.082 |
Hf2CO2 -(model2) | 4.11 | 90.46 | 90.07 | 0.518 | 0.046 |
Hf2CO2 -(model3) | 3.64 | 91.00 | 90.16 | 0.668 | 0.053 |
Hf2CO2 -(model4) | 4.00 | 91.28 | 90.13 | 0.857 | 0.064 |
Hf2CrCN | 10.83 | 93.27 | 90.38 | 4.574 | 0.197 |
Hf2CrCNO2 | 14.58 | 86.81 | 90.11 | 4.499 | 0.768 |
Hf2MoCN | 10.62 | 93.10 | 90.34 | 3.877 | 0.174 |
Hf2MoCNO2 | 14.94 | 85.84 | 90.01 | 4.124 | 0.860 |
Hf2N | 2.60 | 90.79 | 90.02 | 0.345 | 0.028 |
Hf2N(OH)2 | 7.19 | 89.58 | 89.97 | 1.294 | 0.139 |
Hf2NbCN | 10.79 | 93.18 | 90.39 | 4.040 | 0.180 |
Hf2NbCNO2 | 14.85 | 86.10 | 90.04 | 4.164 | 0.818 |
Hf2NF2 | 3.84 | 90.44 | 90.03 | 0.413 | 0.036 |
Hf2NF2 -(model2) | 4.97 | 90.95 | 89.98 | 0.744 | 0.059 |
Hf2NF2 -(model4) | 5.07 | 91.66 | 90.14 | 1.433 | 0.097 |
Hf2NO2 | 4.65 | 91.09 | 90.21 | 0.818 | 0.064 |
Hf2TaCN | 11.30 | 93.24 | 90.34 | 0.115 | 0.005 |
Hf2TaCNO2 | 14.83 | 85.75 | 90.09 | 0.114 | 0.024 |
Hf2TiCN | 10.82 | 93.23 | 90.38 | 4.555 | 0.202 |
Hf2TiCNO2 | 14.82 | 86.27 | 90.06 | 4.554 | 0.865 |
Hf2VCN | 10.77 | 93.21 | 90.48 | 4.510 | 0.197 |
Hf2VCNO2 | 14.64 | 86.72 | 90.10 | 4.514 | 0.809 |
Hf2ZrCN | 10.73 | 93.03 | 90.36 | 3.962 | 0.181 |
Hf2ZrCNO2 | 15.06 | 85.34 | 90.01 | 4.186 | 0.922 |
Hf3C2 | 4.69 | 91.36 | 90.04 | 0.774 | 0.056 |
Hf3C2(OH)2 | 7.29 | 89.04 | 89.93 | 0.703 | 0.083 |
Hf3C2F2 | 5.91 | 90.01 | 90.07 | 0.652 | 0.065 |
Hf3C2H2 | 3.06 | 89.62 | 90.01 | 0.104 | 0.011 |
Hf3C2O2 | 8.85 | 90.05 | 90.15 | 1.672 | 0.163 |
Hf3CN | 4.78 | 91.39 | 90.04 | 0.772 | 0.055 |
Hf3CNO2 | 9.54 | 90.28 | 90.12 | 2.019 | 0.186 |
Hf3N2 | 3.67 | 90.95 | 90.12 | 0.374 | 0.030 |
Hf3N2(OH)2 | 5.71 | 89.29 | 90.03 | 0.317 | 0.036 |
Hf3N2F2 | 5.60 | 89.73 | 90.05 | 0.468 | 0.050 |
Hf3N2H2 | 4.45 | 89.56 | 89.92 | 0.226 | 0.024 |
Hf3N2O2 | 7.64 | 90.16 | 90.10 | 1.192 | 0.116 |
Hf4C3 | 3.65 | 90.64 | 90.03 | 0.308 | 0.026 |
Hf4C3(OH)2 | 6.84 | 89.49 | 90.06 | 0.787 | 0.086 |
Hf4C3F2 | 6.04 | 90.13 | 90.11 | 0.574 | 0.056 |
Hf4C3H2 | 4.11 | 89.60 | 90.00 | 0.166 | 0.018 |
Hf4C3O2 | 9.37 | 90.62 | 90.15 | 1.556 | 0.133 |
Hf4N3 | 3.55 | 90.96 | 90.09 | 0.292 | 0.023 |
Hf4N3(OH)2 | 7.99 | 88.70 | 89.90 | 0.743 | 0.095 |
Hf4N3F2 | 5.23 | 90.18 | 90.04 | 0.393 | 0.038 |
Hf4N3H2 | 3.84 | 89.68 | 89.92 | 0.152 | 0.016 |
Hf4N3O2 | 7.55 | 90.51 | 90.15 | 0.959 | 0.084 |
HfCrNO2 | 4.62 | 90.93 | 90.11 | 0.964 | 0.077 |
Mn2C | 3.15 | 90.97 | 90.04 | 1.450 | 0.118 |
Mn2C(OH)2 | 6.58 | 90.47 | 90.04 | 3.227 | 0.283 |
Mn2CF2 | 3.49 | 90.62 | 90.10 | 0.939 | 0.079 |
Mn2CO2 | 4.65 | 91.18 | 90.03 | 1.868 | 0.141 |
Mn2N | 2.31 | 90.63 | 90.13 | 0.556 | 0.048 |
Mn2N(OH)2 | 4.96 | 90.39 | 90.05 | 1.851 | 0.164 |
Mn2NF2 | 2.93 | 90.55 | 89.96 | 0.661 | 0.057 |
Mn2NO2 | 4.17 | 90.97 | 90.13 | 1.394 | 0.114 |
Mn3C2 | 5.06 | 91.67 | 90.29 | 2.383 | 0.157 |
Mn3C2(OH)2 | 10.91 | 88.09 | 89.93 | 5.023 | 0.684 |
Mn3C2F2 | 5.67 | 90.41 | 90.05 | 1.482 | 0.135 |
Mn3C2O2 | 7.87 | 90.56 | 90.08 | 3.147 | 0.269 |
Mn3N2 | 3.23 | 90.99 | 90.15 | 0.980 | 0.079 |
Mn3N2(OH)2 | 10.16 | 88.35 | 89.99 | 3.904 | 0.560 |
Mn3N2F2 | 4.68 | 90.37 | 90.14 | 0.983 | 0.086 |
Mn4C3 | 5.35 | 91.72 | 90.20 | 2.205 | 0.142 |
Mn4C3(OH)2 | 10.55 | 89.03 | 89.99 | 4.067 | 0.472 |
Mn4C3F2 | 5.45 | 90.57 | 90.08 | 1.154 | 0.100 |
Mn4C3O2 | 6.78 | 90.98 | 90.20 | 2.060 | 0.166 |
Mn4N3 | 4.13 | 91.05 | 90.05 | 0.838 | 0.066 |
Mn4N3(OH)2 | 9.75 | 89.17 | 90.05 | 3.242 | 0.368 |
Mn4N3O2 | 5.43 | 90.73 | 90.09 | 1.217 | 0.103 |
Mo1.33C | 4.86 | 90.94 | 90.17 | 3.371 | 0.272 |
Mo2C | 3.78 | 91.23 | 90.18 | 1.352 | 0.100 |
Mo2C(NCS)2 | 16.20 | 32.06 | 78.98 | 6.491 | 71.569 |
Mo2C(OCN)2 | 15.88 | 87.89 | 90.37 | 12.903 | 1.846 |
Mo2C(OH)2 | 5.32 | 90.32 | 90.19 | 1.568 | 0.142 |
Mo2C(SCN)2 | 19.27 | 78.92 | 89.84 | 14.834 | 7.273 |
Mo2CBr2 | 16.24 | 85.45 | 90.34 | 13.427 | 2.964 |
Mo2CCl2 | 13.85 | 89.63 | 90.28 | 12.762 | 1.348 |
Mo2CF2 | 3.41 | 90.78 | 90.18 | 0.734 | 0.061 |
Mo2CF2 -(model4) | 4.92 | 91.67 | 90.28 | 2.077 | 0.143 |
Mo2CO2 | 6.20 | 90.96 | 90.06 | 1.942 | 0.158 |
Mo2CO2 -(model4) | 4.29 | 91.01 | 90.18 | 1.136 | 0.088 |
Mo2CrCN | 13.05 | 93.76 | 90.48 | 11.257 | 0.415 |
Mo2CrCNO2 | 15.24 | 88.19 | 90.51 | 9.631 | 1.352 |
Mo2CS2 | 17.22 | 67.12 | 89.93 | 16.297 | 22.584 |
Mo2Hf2C3O2 | 9.05 | 89.89 | 90.11 | 1.542 | 0.157 |
Mo2HfC2 | 2.77 | 90.69 | 90.08 | 0.310 | 0.027 |
Mo2HfC2O2 | 9.89 | 89.31 | 90.11 | 2.449 | 0.278 |
Mo2HfCN | 12.20 | 93.39 | 90.45 | 6.348 | 0.265 |
Mo2HfCNO2 | 16.16 | 85.82 | 90.28 | 7.064 | 1.435 |
Mo2N | 3.12 | 90.98 | 90.17 | 0.698 | 0.055 |
Mo2N(OH)2 | 11.56 | 88.10 | 90.04 | 4.954 | 0.701 |
Mo2Nb2C3 | 6.55 | 92.32 | 90.23 | 2.059 | 0.117 |
Mo2NbC2 | 3.00 | 90.78 | 90.21 | 0.450 | 0.037 |
Mo2NbCN | 12.16 | 93.52 | 90.45 | 8.223 | 0.323 |
Mo2NbCNO2 | 15.83 | 87.16 | 90.44 | 8.746 | 1.512 |
Mo2NF2 | 5.16 | 90.40 | 90.03 | 1.015 | 0.095 |
Mo2NO2 | 5.84 | 90.83 | 90.12 | 1.593 | 0.126 |
Mo2ScC2 | 3.09 | 90.81 | 90.07 | 0.570 | 0.046 |
Mo2ScC2O2 | 9.62 | 89.42 | 90.10 | 3.279 | 0.361 |
Mo2Ta2C3 | 5.97 | 92.02 | 90.18 | 0.019 | 0.001 |
Mo2TaCN | 2.86 | 90.68 | 90.14 | 0.007 | 0.001 |
Mo2TaCNO2 | 12.15 | 93.50 | 90.45 | 0.139 | 0.006 |
Mo2TaC2 | 15.94 | 86.91 | 90.33 | 0.164 | 0.029 |
Mo2Ti2C3 | 7.96 | 92.87 | 90.30 | 3.940 | 0.194 |
Mo2Ti2C3(OH)1.5F0.5 | 12.77 | 89.14 | 90.19 | 5.447 | 0.625 |
Mo2Ti2C3O1.5F0.5 | 8.75 | 91.07 | 90.19 | 2.835 | 0.219 |
Mo2Ti2C3O2 | 9.05 | 90.24 | 90.14 | 2.673 | 0.249 |
Mo2TiC2 | 3.22 | 90.91 | 90.10 | 0.608 | 0.050 |
Mo2TiC2(O1.5F0.5) | 10.70 | 85.57 | 89.95 | 4.303 | 0.922 |
Mo2TiC2(OH)2 | 13.54 | 86.45 | 89.99 | 6.330 | 1.211 |
Mo2TiC2F2 | 11.71 | 92.22 | 90.38 | 7.739 | 0.458 |
Mo2TiC2O2 | 9.60 | 89.94 | 90.10 | 3.587 | 0.361 |
Mo2TiCN | 12.75 | 93.72 | 90.43 | 10.811 | 0.404 |
Mo2TiCNO2 | 15.49 | 87.65 | 90.37 | 9.871 | 1.476 |
Mo2V2C3 | 8.04 | 92.84 | 90.23 | 3.883 | 0.189 |
Mo2VC2 | 3.25 | 90.92 | 90.21 | 0.609 | 0.049 |
Mo2VCN | 12.95 | 93.76 | 90.46 | 11.082 | 0.407 |
Mo2VCNO2 | 15.72 | 87.98 | 90.46 | 9.972 | 1.441 |
Mo2Zr2C3O2 | 9.03 | 89.76 | 90.15 | 2.106 | 0.216 |
Mo2ZrC2 | 2.89 | 90.74 | 90.14 | 0.426 | 0.035 |
Mo2ZrC2O2 | 9.94 | 90.14 | 90.18 | 3.556 | 0.336 |
Mo2ZrCN | 12.12 | 93.43 | 90.48 | 8.139 | 0.331 |
Mo2ZrCNO2 | 16.13 | 86.41 | 90.33 | 8.881 | 1.641 |
Mo3C2 | 6.47 | 91.98 | 90.23 | 2.138 | 0.131 |
Mo3C2(OH)2 | 3.24 | 89.46 | 89.88 | 0.104 | 0.012 |
Mo3C2F2 | 8.15 | 89.23 | 89.96 | 1.419 | 0.158 |
Mo3C2H2 | 8.52 | 89.85 | 90.02 | 2.363 | 0.236 |
Mo3C2O2 | 11.88 | 88.63 | 90.13 | 4.178 | 0.537 |
Mo3CN | 7.63 | 92.46 | 90.31 | 3.402 | 0.186 |
Mo3N2 | 4.40 | 91.22 | 90.18 | 0.800 | 0.059 |
Mo3N2(OH)2 | 0.62 | 89.65 | 89.87 | 0.002 | 0.000 |
Mo3N2F2 | 7.79 | 89.20 | 89.96 | 1.088 | 0.125 |
Mo3N2H2 | 5.62 | 90.58 | 90.04 | 1.056 | 0.089 |
Mo3N2O2 | 10.66 | 88.48 | 89.96 | 2.583 | 0.334 |
Mo4C3 | 6.83 | 92.42 | 90.26 | 2.313 | 0.126 |
Mo4C3(OH)2 | 9.29 | 88.62 | 90.01 | 1.990 | 0.258 |
Mo4C3F2 | 5.63 | 90.32 | 90.11 | 0.849 | 0.079 |
Mo4C3O2 | 8.40 | 90.60 | 90.19 | 2.021 | 0.171 |
Mo4N3 | 4.10 | 91.26 | 90.06 | 0.674 | 0.050 |
Mo4N3(OH)2 | 6.77 | 89.68 | 90.05 | 1.209 | 0.128 |
Mo4N3F2 | 4.31 | 90.54 | 90.03 | 0.556 | 0.048 |
Mo4N3H2 | 4.58 | 90.15 | 90.15 | 0.424 | 0.040 |
Mo4N3O2 | 5.36 | 90.97 | 90.11 | 0.952 | 0.075 |
MoCrC | 2.39 | 90.69 | 90.15 | 0.659 | 0.056 |
MoCrCO2 -(model4) | 5.12 | 91.38 | 90.15 | 1.920 | 0.138 |
MoWC | 2.30 | 90.61 | 90.06 | 0.342 | 0.029 |
MoWC(NCO)2 | 14.34 | 88.87 | 90.30 | 8.353 | 1.019 |
MoWC(OCN)2 | 15.83 | 88.06 | 90.38 | 9.974 | 1.419 |
MoWC(SCN)2 | 18.60 | 79.27 | 89.86 | 11.409 | 5.294 |
MoWCCl2 | 15.54 | 90.04 | 90.46 | 13.116 | 1.264 |
MoWCF2 | 1.11 | 89.97 | 90.19 | 0.124 | 0.013 |
MoWCO2-(model2) | 5.30 | 91.31 | 90.15 | 1.175 | 0.087 |
Nb0.4V1.6C | 24.39 | 86.24 | 89.62 | 106.738 | 20.258 |
Nb0.8V1.2C | 9.75 | 88.73 | 89.57 | 15.738 | 1.958 |
Nb1.2V0.8C | 7.02 | 91.15 | 90.18 | 7.730 | 0.598 |
Nb1.33C | 36.33 | 43.31 | 40.37 | 94.332 | 282.018 |
Nb1.6V0.4C | 4.34 | 90.80 | 90.22 | 2.733 | 0.233 |
Nb2C | 3.40 | 91.12 | 89.97 | 1.169 | 0.091 |
Nb2C(OH)2 | 6.25 | 89.94 | 90.03 | 1.973 | 0.201 |
Nb2CF2 | 3.74 | 90.66 | 90.07 | 0.810 | 0.069 |
Nb2CO2 | 5.13 | 91.20 | 90.14 | 1.697 | 0.128 |
Nb2CrCN | 13.50 | 93.89 | 90.46 | 12.729 | 0.447 |
Nb2CrCNO2 | 14.85 | 87.88 | 90.31 | 8.491 | 1.254 |
Nb2HfCN | 13.08 | 93.62 | 90.50 | 7.745 | 0.302 |
Nb2HfCNO2 | 15.24 | 85.87 | 90.14 | 5.939 | 1.217 |
Nb2MoCN | 13.07 | 93.77 | 90.51 | 10.021 | 0.368 |
Nb2MoCNO2 | 15.26 | 87.04 | 90.19 | 7.513 | 1.286 |
Nb2N | 2.62 | 90.81 | 90.18 | 0.665 | 0.056 |
Nb2N(OH)2 | 9.36 | 88.95 | 90.04 | 3.535 | 0.426 |
Nb2NF2 | 3.44 | 90.40 | 89.94 | 0.675 | 0.059 |
Nb2NH2 | 3.36 | 90.12 | 90.06 | 0.472 | 0.046 |
Nb2NO2 | 4.46 | 91.12 | 90.32 | 1.302 | 0.100 |
Nb2Ta2C3 | 0.05 | 91.96 | 90.22 | 0.000 | 0.000 |
Nb2TaCN | 14.15 | 93.87 | 90.44 | 0.196 | 0.007 |
Nb2TaCNO2 | 15.37 | 86.95 | 90.26 | 0.143 | 0.025 |
Nb2TiCN | 13.07 | 93.79 | 90.45 | 11.934 | 0.431 |
Nb2TiCNO2 | 15.36 | 87.39 | 90.30 | 8.855 | 1.408 |
Nb2VCN | 12.80 | 93.82 | 90.44 | 11.592 | 0.426 |
Nb2VCNO2 | 14.89 | 87.85 | 90.24 | 8.543 | 1.260 |
Nb2W2C3 | 431.91 | 92.59 | 90.27 | 106.707 | 5.668 |
Nb2Zr2C3 | 9.05 | 92.11 | 90.23 | 2.803 | 0.170 |
Nb2ZrCN | 13.25 | 93.67 | 90.44 | 10.166 | 0.390 |
Nb2ZrCNO2 | 15.25 | 86.43 | 90.22 | 7.481 | 1.420 |
Nb3C2 | 6.72 | 91.71 | 90.12 | 2.294 | 0.157 |
Nb3C2(OH)2 | 3.31 | 88.94 | 89.87 | 0.672 | 0.080 |
Nb3C2F2 | 8.47 | 90.12 | 90.04 | 1.660 | 0.161 |
Nb3C2H2 | 4.24 | 89.72 | 90.04 | 0.553 | 0.058 |
Nb3C2O2 | 12.80 | 90.17 | 90.13 | 4.229 | 0.425 |
Nb3CN | 11.98 | 92.36 | 90.30 | 5.427 | 0.305 |
Nb3CNO2 | 15.35 | 87.20 | 90.29 | 7.684 | 1.233 |
Nb3N2 | 2.99 | 91.08 | 90.03 | 0.550 | 0.042 |
Nb3N2(OH)2 | 0.17 | 89.57 | 90.50 | 0.001 | 0.000 |
Nb3N2F2 | 21.90 | 89.30 | 89.91 | 3.185 | 0.384 |
Nb3N2H2 | 7.89 | 89.85 | 90.05 | 1.249 | 0.133 |
Nb3N2O2 | 10.05 | 89.98 | 90.11 | 2.714 | 0.277 |
Nb4C3 | 8.41 | 91.89 | 90.27 | 2.300 | 0.145 |
Nb4C3(OH)2 | 3.74 | 88.44 | 90.03 | 0.646 | 0.086 |
Nb4C3F2 | 8.64 | 89.78 | 89.95 | 1.319 | 0.139 |
Nb4C3H2 | 4.90 | 89.98 | 90.04 | 0.541 | 0.053 |
Nb4C3O2 | 11.71 | 90.38 | 90.19 | 3.040 | 0.280 |
Nb4N3 | 5.81 | 91.12 | 90.16 | 1.011 | 0.078 |
Nb4N3(OH)2 | 4.14 | 89.06 | 90.00 | 0.758 | 0.090 |
Nb4N3F2 | 5.59 | 90.37 | 90.18 | 0.745 | 0.066 |
Nb4N3O2 | 7.56 | 90.66 | 90.20 | 1.566 | 0.133 |
Nb5C4(OH)2 | 0.62 | 89.51 | 89.87 | 0.012 | 0.001 |
Nb5C4F2 | 16.37 | 89.61 | 90.02 | 1.921 | 0.211 |
Nb5C4O2 | 11.26 | 90.04 | 90.13 | 2.276 | 0.225 |
NbCrN(NCO)2 | 43.85 | 83.46 | 90.25 | 38.382 | 11.045 |
NbCrN(NCS)2 | 20.97 | 18.91 | 57.93 | 5.195 | 101.696 |
NbCrN(OCN)2 | 12.28 | 87.90 | 90.42 | 11.823 | 1.720 |
NbCrN(SCN)2 | 15.99 | 75.64 | 89.68 | 13.575 | 9.499 |
NbCrNBr2 | 19.73 | 82.80 | 90.71 | 19.303 | 5.960 |
NbCrNCl2 | 21.71 | 90.14 | 90.56 | 29.312 | 2.763 |
NbCrNF2 | 4.00 | 91.36 | 89.94 | 1.357 | 0.099 |
NbMoN(NCO)2 | 9.51 | 89.32 | 90.38 | 6.948 | 0.775 |
NbMoN(NCS)2 | 21.05 | 31.46 | 78.81 | 8.289 | 95.243 |
NbMoN(OCN)2 | 0.01 | 89.71 | 89.28 | 0.000 | 0.000 |
NbMoN(SCN)2 | 188.75 | 77.24 | 89.79 | 145.420 | 88.023 |
NbMoNBr2 | 20.07 | 85.51 | 90.56 | 17.950 | 3.868 |
NbMoNCl2 | 19.36 | 90.80 | 90.45 | 21.168 | 1.728 |
NbMoN(CN)2 | 7.42 | 91.68 | 90.26 | 3.973 | 0.258 |
NbMoNF2 | 4.95 | 91.41 | 90.11 | 1.525 | 0.109 |
NbWN(NCO)2 | 8.46 | 89.25 | 90.30 | 4.834 | 0.544 |
NbWN(NCS)2 | 21.82 | 30.80 | 78.38 | 6.591 | 78.174 |
NbWN(OCN)2 | 11.01 | 88.90 | 90.37 | 6.787 | 0.798 |
NbWN(SCN)2 | 17.05 | 78.52 | 89.95 | 10.579 | 5.476 |
NbWNBr2 | 19.08 | 84.28 | 90.58 | 13.591 | 3.541 |
NbWNCl2 | 18.19 | 90.35 | 90.53 | 15.047 | 1.360 |
NbWN(CN)2 | 5.59 | 91.53 | 90.23 | 1.712 | 0.121 |
NbWNF2 | 4.45 | 91.37 | 90.27 | 1.028 | 0.075 |
Sc2C | 7.20 | 90.48 | 90.13 | 2.821 | 0.244 |
Sc2C(CN)2 | 3.26 | 91.11 | 90.22 | 2.039 | 0.156 |
Sc2C(NCO)2 | 14.81 | 87.51 | 90.20 | 15.300 | 2.396 |
Sc2C(NCS)2 | 89.51 | 38.72 | 82.88 | 61.424 | 495.159 |
Sc2C(OCI)2 | 19.16 | 88.76 | 90.66 | 29.748 | 3.832 |
Sc2C(OCN)2 | 16.02 | 84.34 | 90.06 | 16.793 | 4.342 |
Sc2C(OH)2 | 20.44 | 89.95 | 90.03 | 9.019 | 0.935 |
Sc2C(SCN)2 | 15.62 | 84.93 | 90.22 | 19.412 | 4.615 |
Sc2CBr2 | 15.21 | 88.87 | 90.32 | 16.941 | 2.083 |
Sc2CCl2 | 18.94 | 89.90 | 90.30 | 27.684 | 2.807 |
Sc2CF2 | 3.04 | 90.55 | 90.00 | 1.000 | 0.085 |
Sc2CF2 -(model2) | 5.23 | 91.35 | 90.17 | 2.790 | 0.205 |
Sc2CF2 -(model3) | 5.41 | 91.32 | 90.12 | 3.240 | 0.234 |
Sc2CF2 -(model4) | 5.50 | 91.79 | 90.16 | 4.333 | 0.280 |
Sc2CO2 -(model3) | 4.06 | 91.28 | 90.01 | 2.444 | 0.184 |
Sc2CO2 -(model4) | 3.30 | 91.03 | 90.18 | 1.551 | 0.127 |
Sc2N | 2.63 | 90.39 | 90.11 | 0.759 | 0.066 |
Sc2N(OH)2 | 2.64 | 90.18 | 89.98 | 1.133 | 0.110 |
Sc2NF2 | 3.22 | 90.37 | 90.28 | 0.889 | 0.082 |
Sc2NF2 -(model3) | 6.80 | 91.51 | 90.03 | 4.310 | 0.302 |
Sc2NF2 -(model4) | 3.55 | 91.27 | 90.20 | 1.736 | 0.130 |
Sc2NO2 | 3.87 | 90.88 | 90.10 | 1.697 | 0.140 |
Sc2NO2 -(model2) | 4.27 | 90.91 | 90.14 | 1.990 | 0.159 |
Sc3C2 | 3.97 | 90.81 | 90.06 | 1.383 | 0.113 |
Sc3C2(OH)2 | 2.57 | 89.28 | 89.89 | 0.747 | 0.084 |
Sc3C2Br2 | 4.51 | 89.85 | 89.91 | 0.923 | 0.092 |
Sc3C2F2 | 8.71 | 90.06 | 89.94 | 2.421 | 0.241 |
Sc3C2O2 | 9.55 | 91.03 | 90.23 | 4.837 | 0.384 |
Sc3N2 | 2.57 | 90.56 | 90.06 | 0.572 | 0.050 |
Sc3N2(OH)2 | 2.98 | 89.18 | 90.00 | 0.826 | 0.096 |
Sc3N2F2 | 5.85 | 90.07 | 90.12 | 1.343 | 0.129 |
Sc3N2O2 | 7.33 | 90.43 | 90.06 | 2.701 | 0.242 |
Sc4C3 | 5.31 | 90.87 | 90.19 | 1.804 | 0.148 |
Sc4C3(OH)2 | 2.63 | 88.97 | 89.96 | 0.643 | 0.077 |
Sc4C3F2 | 7.14 | 90.15 | 90.03 | 1.748 | 0.168 |
Sc4C3O2 | 8.89 | 90.46 | 90.08 | 3.496 | 0.307 |
Sc4N3 | 3.42 | 90.59 | 90.06 | 0.612 | 0.055 |
Sc4N3(OH)2 | 3.62 | 88.92 | 89.99 | 0.968 | 0.120 |
Sc4N3F2 | 5.24 | 90.28 | 90.03 | 1.024 | 0.092 |
Sc4N3O2 | 6.79 | 90.49 | 90.07 | 2.024 | 0.176 |
ScCrC(OCN)2 | 24.07 | 88.25 | 90.39 | 28.707 | 3.907 |
ScCrC(OH)2 | 8.22 | 90.60 | 90.19 | 5.351 | 0.460 |
ScCrCF2 | 5.01 | 91.22 | 90.16 | 2.125 | 0.162 |
ScHfN(SCN)2 | 7.76 | 82.70 | 89.92 | 5.654 | 1.867 |
ScHfNO2 | 5.68 | 91.09 | 90.12 | 1.383 | 0.106 |
ScNbCO2 | 6.37 | 91.01 | 90.12 | 2.319 | 0.185 |
ScTaCO2 | 0.05 | 91.24 | 90.07 | 0.000 | 0.000 |
ScTiNO2 | 449.80 | 91.06 | 89.90 | 186.389 | 14.504 |
ScVCO2 | 4.46 | 90.90 | 90.19 | 1.900 | 0.152 |
ScYC(CN)2 | 4.70 | 90.73 | 90.17 | 2.252 | 0.194 |
ScYC(NCO)2 | 9.98 | 90.17 | 90.30 | 8.345 | 0.794 |
ScYC(NCS)2 | 19.94 | 56.56 | 87.63 | 17.841 | 52.008 |
ScYC(OCI)2 | 14.14 | 91.43 | 90.29 | 15.207 | 1.080 |
ScYC(OCN)2 | 11.30 | 89.60 | 90.25 | 10.531 | 1.126 |
ScYC(OH)2 | 6.16 | 90.16 | 90.09 | 2.586 | 0.246 |
ScYC(SCN)2 | 15.62 | 84.57 | 89.98 | 16.446 | 4.157 |
ScYCBr2 | 16.25 | 87.89 | 90.24 | 15.425 | 2.361 |
ScYCCl2 | 15.72 | 90.81 | 90.34 | 16.382 | 1.358 |
ScYCF2 | 4.09 | 91.10 | 90.05 | 1.585 | 0.123 |
ScZrN(SCN)2 | 11.37 | 81.05 | 89.96 | 11.131 | 4.471 |
ScZrNO2 | 6.44 | 91.17 | 90.15 | 2.398 | 0.180 |
Ta2C | 0.03 | 91.41 | 90.13 | 0.000 | 0.000 |
Ta2C(OH)2 | 4.95 | 89.17 | 90.05 | 0.013 | 0.002 |
Ta2CF2 | 5.17 | 90.71 | 90.02 | 0.008 | 0.001 |
Ta2CO2 | 5.93 | 91.23 | 90.18 | 0.014 | 0.001 |
Ta2CrCN | 12.35 | 93.73 | 90.40 | 0.076 | 0.003 |
Ta2CrCNO2 | 14.54 | 87.59 | 90.19 | 0.062 | 0.010 |
Ta2HfCN | 12.37 | 93.44 | 90.44 | 0.071 | 0.003 |
Ta2HfCNO2 | 15.25 | 85.69 | 89.99 | 0.062 | 0.013 |
Ta2MoCN | 12.29 | 93.60 | 90.44 | 0.073 | 0.003 |
Ta2MoCNO2 | 14.59 | 86.63 | 90.10 | 0.061 | 0.011 |
Ta2N | 4.05 | 91.05 | 90.13 | 0.007 | 0.001 |
Ta2N(OH)2 | 5.20 | 88.57 | 90.06 | 0.014 | 0.002 |
Ta2NbCN | 12.15 | 93.61 | 90.36 | 0.071 | 0.003 |
Ta2NbCNO2 | 14.63 | 87.04 | 90.16 | 0.062 | 0.010 |
Ta2NF2 | 5.54 | 90.35 | 90.09 | 0.008 | 0.001 |
Ta2NH2 | 3.02 | 90.13 | 90.03 | 0.002 | 0.000 |
Ta2NO2 | 5.24 | 91.17 | 90.22 | 0.011 | 0.001 |
Ta2TiCN | 12.06 | 93.59 | 90.43 | 0.071 | 0.003 |
Ta2TiCNO2 | 14.63 | 87.10 | 90.15 | 0.062 | 0.011 |
Ta2VCN | 11.94 | 93.62 | 90.38 | 0.071 | 0.003 |
Ta2VCNO2 | 14.69 | 87.60 | 90.24 | 0.062 | 0.009 |
Ta2ZrCN | 12.20 | 93.48 | 90.42 | 0.070 | 0.003 |
Ta2ZrCNO2 | 15.10 | 86.35 | 90.08 | 0.063 | 0.012 |
Ta3C2 | 5.71 | 92.16 | 90.26 | 0.014 | 0.001 |
Ta3C2(OH)2 | 2.43 | 89.14 | 89.82 | 0.002 | 0.000 |
Ta3C2F2 | 11.63 | 89.50 | 89.97 | 0.015 | 0.002 |
Ta3C2H2 | 3.30 | 89.68 | 89.77 | 0.002 | 0.000 |
Ta3C2O2 | 16.99 | 90.14 | 90.19 | 0.038 | 0.004 |
Ta3CN | 7.98 | 91.67 | 90.14 | 0.015 | 0.001 |
Ta3CNO2 | 15.06 | 86.32 | 90.21 | 0.042 | 0.008 |
Ta3N2 | 3.91 | 91.34 | 90.15 | 0.005 | 0.000 |
Ta3N2(OH)2 | 0.03 | 89.62 | 90.76 | 0.000 | 0.000 |
Ta3N2F2 | 37.83 | 89.18 | 89.97 | 0.036 | 0.004 |
Ta3N2H2 | 5.24 | 89.67 | 89.88 | 0.003 | 0.000 |
Ta3N2O2 | 13.66 | 89.72 | 90.09 | 0.026 | 0.003 |
Ta4C3 | 9.46 | 92.48 | 90.29 | 0.019 | 0.001 |
Ta4C3(OH)2 | 4.98 | 87.88 | 89.95 | 0.007 | 0.001 |
Ta4C3F2 | 8.96 | 89.72 | 90.07 | 0.010 | 0.001 |
Ta4C3H2 | 3.89 | 89.83 | 90.05 | 0.002 | 0.000 |
Ta4C3O2 | 14.63 | 90.73 | 90.17 | 0.027 | 0.002 |
Ta4N3 | 6.16 | 91.46 | 90.11 | 0.007 | 0.001 |
Ta4N3(OH)2 | 4.71 | 89.02 | 89.97 | 0.006 | 0.001 |
Ta4N3F2 | 5.85 | 90.36 | 90.12 | 0.005 | 0.000 |
Ta4N3H2 | 2.94 | 90.01 | 89.94 | 0.002 | 0.000 |
Ta4N3O2 | 11.79 | 90.78 | 90.27 | 0.017 | 0.001 |
TaCrN(OCN)2 | 65.21 | 88.70 | 90.36 | 0.808 | 0.104 |
TaCrN(SCN)2 | 19.10 | 79.15 | 89.95 | 0.265 | 0.123 |
TaCrNBr2 | 20.49 | 81.28 | 90.45 | 0.333 | 0.126 |
TaCrNCl2 | 14.95 | 88.61 | 90.48 | 0.231 | 0.029 |
TaCrNF2 | 3.53 | 91.18 | 90.10 | 0.013 | 0.001 |
TaMoN(NCO)2 | 12.38 | 89.71 | 90.22 | 0.134 | 0.014 |
TaMoN(NCS)2 | 23.68 | 37.39 | 82.53 | 0.196 | 1.621 |
TaMoN(SCN)2 | 10.08 | 83.91 | 89.91 | 0.115 | 0.031 |
TaMoNBr2 | 29.87 | 85.82 | 90.44 | 0.511 | 0.104 |
TaMoNCl2 | 13.56 | 90.45 | 90.43 | 0.202 | 0.018 |
TaMoNF2 | 3.79 | 91.30 | 90.13 | 0.016 | 0.001 |
TaWN(CN)2 | 5.76 | 91.13 | 90.25 | 0.032 | 0.002 |
TaWN(NCO)2 | 11.66 | 89.76 | 90.24 | 0.127 | 0.013 |
TaWNBr2 | 21.41 | 85.18 | 90.51 | 0.368 | 0.086 |
TaWNCl2 | 14.36 | 89.08 | 90.48 | 0.222 | 0.026 |
Ti0.4Nb1.6C | 969.86 | 92.16 | 90.23 | 1005.991 | 58.852 |
Ti0.8Nb1.2C | 18.11 | 94.07 | 90.43 | 39.041 | 1.310 |
Ti1.2Nb0.8C | 27.60 | 90.09 | 90.54 | 82.895 | 8.132 |
Ti1.5Nb0.5C | 6.20 | 90.55 | 90.10 | 4.620 | 0.405 |
Ti1.6Nb0.4C | 7.44 | 88.42 | 89.80 | 9.127 | 1.258 |
Ti10C9F2 | 1.14 | 87.20 | 89.84 | 0.243 | 0.041 |
Ti10N9F2 | 8.73 | 89.29 | 90.08 | 1.226 | 0.134 |
Ti2C | 28.08 | 90.63 | 90.22 | 11.330 | 0.953 |
Ti2C(OH)2 | 3.26 | 90.11 | 90.04 | 1.761 | 0.177 |
Ti2CCI2 | 2.84 | 90.44 | 89.94 | 0.632 | 0.055 |
Ti2CF2 | 4.09 | 90.56 | 90.06 | 1.215 | 0.106 |
Ti2CF2-(model2) | 8.02 | 91.98 | 90.25 | 5.648 | 0.351 |
Ti2CF2-(model3) | 6.55 | 91.90 | 90.21 | 5.009 | 0.320 |
Ti2CF2-(model4) | 9.86 | 92.80 | 90.31 | 12.884 | 0.639 |
Ti2CO0.11F1.89 | 2.87 | 91.27 | 90.08 | 1.237 | 0.093 |
Ti2CO0.44F1.56 | 5.06 | 91.38 | 90.11 | 2.448 | 0.176 |
Ti2CO0.67F1.33 | 5.11 | 91.43 | 90.21 | 2.507 | 0.178 |
Ti2CO0.89F1.11 | 5.58 | 91.57 | 90.07 | 2.997 | 0.214 |
Ti2CO1.33F0.67 | 5.50 | 91.45 | 90.14 | 2.900 | 0.206 |
Ti2CO2 | 4.58 | 91.12 | 90.00 | 2.040 | 0.158 |
Ti2CO2-(model2) | 5.42 | 91.49 | 90.14 | 2.959 | 0.217 |
Ti2CO2-(model3) | 6.18 | 91.53 | 90.17 | 3.829 | 0.265 |
Ti2CrCN | 15.01 | 94.15 | 90.45 | 25.055 | 0.803 |
Ti2CrCNO2 | 15.53 | 88.33 | 90.53 | 14.964 | 2.087 |
Ti2HfCN | 15.36 | 94.00 | 90.54 | 14.704 | 0.509 |
Ti2HfCNO2 | 16.42 | 85.95 | 90.37 | 9.573 | 1.947 |
Ti2MoCN | 15.19 | 94.06 | 90.54 | 19.849 | 0.670 |
Ti2MoCNO2 | 15.61 | 87.33 | 90.44 | 12.159 | 1.990 |
Ti2N | 2.32 | 90.46 | 90.17 | 0.664 | 0.060 |
Ti2N(OH)2 | 3.34 | 90.20 | 90.08 | 1.611 | 0.150 |
Ti2Nb2C3 | 6.03 | 92.58 | 90.26 | 2.880 | 0.155 |
Ti2NbC2 | 3.84 | 90.94 | 90.02 | 0.945 | 0.076 |
Ti2NbCN | 15.51 | 94.12 | 90.53 | 21.150 | 0.693 |
Ti2NbCNO2 | 16.17 | 87.31 | 90.45 | 12.769 | 2.062 |
Ti2NF2 | 3.41 | 90.51 | 90.03 | 0.881 | 0.078 |
Ti2NF2-(model2) | 8.18 | 92.12 | 90.18 | 5.755 | 0.348 |
Ti2NO2 | 3.45 | 90.78 | 90.23 | 1.296 | 0.109 |
Ti2NO2-(model4) | 10.47 | 91.86 | 90.20 | 10.152 | 0.646 |
Ti2NS2 | 1.37 | 90.43 | 90.01 | 0.312 | 0.028 |
Ti2Ta2C3 | 0.06 | 92.47 | 90.21 | 0.000 | 0.000 |
Ti2TaC2 | 5.28 | 90.86 | 90.10 | 0.015 | 0.001 |
Ti2TaCN | 16.19 | 94.16 | 90.54 | 0.277 | 0.009 |
Ti2TaCNO2 | 16.30 | 86.94 | 90.46 | 0.175 | 0.029 |
Ti2VC2 | 368.20 | 91.11 | 90.19 | 124.117 | 9.509 |
Ti2VCN | 14.87 | 94.16 | 90.52 | 24.764 | 0.812 |
Ti2VCNO2 | 15.57 | 88.02 | 90.48 | 14.956 | 2.192 |
Ti2ZrCN | 15.42 | 94.02 | 90.49 | 20.638 | 0.691 |
Ti2ZrCNO2 | 16.56 | 86.44 | 90.50 | 13.053 | 2.379 |
Ti3C2 | 4.14 | 91.21 | 90.08 | 1.582 | 0.120 |
Ti3C2(O0.13F0.83(OH)1.04) | 8.24 | 84.81 | 89.83 | 6.505 | 1.600 |
Ti3C2(O0.1F1.1(OH)0.8) | 18.55 | 83.72 | 89.94 | 16.619 | 4.623 |
Ti3C2(O0.7F1.3) | 10.29 | 90.69 | 90.05 | 5.608 | 0.473 |
Ti3C2(OH)2 | 8.81 | 88.11 | 89.88 | 4.187 | 0.606 |
Ti3C2Br2 | 5.79 | 89.79 | 90.04 | 1.365 | 0.142 |
Ti3C2CI2 | 7.69 | 90.29 | 89.87 | 1.877 | 0.170 |
Ti3C2F2 | 6.70 | 90.29 | 90.10 | 1.880 | 0.166 |
Ti3C2O2 | 8.39 | 90.27 | 90.18 | 3.638 | 0.334 |
Ti3C2Se2 | 2.02 | 89.72 | 90.04 | 0.235 | 0.024 |
Ti3C2Te2 | 2.68 | 89.57 | 89.95 | 0.184 | 0.020 |
Ti3CN | 61.08 | 93.13 | 90.44 | 67.599 | 3.153 |
Ti3CNF2 | 11.13 | 90.95 | 90.54 | 13.862 | 1.110 |
Ti3CNO2 | 12.90 | 89.92 | 90.41 | 12.423 | 1.229 |
Ti3N2(OH)3 | 5.83 | 88.49 | 89.95 | 2.215 | 0.291 |
Ti3N2 | 6.11 | 90.70 | 90.06 | 1.411 | 0.116 |
Ti3N2F2 | 2.52 | 90.10 | 90.16 | 0.547 | 0.052 |
Ti3N2H2 | 8.07 | 90.10 | 90.04 | 2.899 | 0.290 |
Ti3N2O2 | 6.50 | 90.40 | 89.95 | 2.246 | 0.209 |
Ti4C3 | 5.74 | 91.11 | 90.14 | 1.781 | 0.137 |
Ti4C3(OH)2 | 4.57 | 88.70 | 90.02 | 1.663 | 0.212 |
Ti4C3F2 | 5.67 | 90.36 | 90.02 | 1.285 | 0.115 |
Ti4C3H2 | 7.06 | 89.67 | 90.03 | 2.222 | 0.234 |
Ti4C3O2 | 7.37 | 90.64 | 90.13 | 2.529 | 0.216 |
Ti4N3 | 3.67 | 90.83 | 90.08 | 0.649 | 0.052 |
Ti4N3(OH)2 | 7.74 | 89.69 | 90.16 | 3.953 | 0.419 |
Ti4N3F2 | 4.31 | 90.39 | 90.01 | 0.775 | 0.069 |
Ti4N3H2 | 5.36 | 90.52 | 89.97 | 1.153 | 0.100 |
Ti4N3O2 | 6.14 | 90.59 | 90.03 | 1.588 | 0.135 |
Ti5C4 (OH)2 | 6.83 | 88.02 | 89.99 | 2.073 | 0.296 |
Ti5C4F2 | 7.35 | 90.04 | 90.07 | 1.516 | 0.153 |
Ti5C4O2 | 9.58 | 90.33 | 90.06 | 3.139 | 0.292 |
Ti5N4F2 | 6.11 | 90.80 | 90.10 | 1.416 | 0.118 |
Ti6C5F2 | 9.67 | 86.99 | 90.19 | 3.206 | 0.552 |
Ti6N5F2 | 8.07 | 89.17 | 90.12 | 2.040 | 0.236 |
Ti7C6F2 | 14.24 | 87.15 | 90.06 | 4.845 | 0.821 |
Ti7N6F2 | 9.49 | 88.47 | 89.98 | 2.175 | 0.289 |
Ti8C7F2 | 15.59 | 85.24 | 89.91 | 4.722 | 1.067 |
Ti8N7F2 | 10.55 | 88.27 | 90.05 | 2.144 | 0.286 |
Ti9C8F2 | 12.92 | 88.02 | 90.06 | 2.872 | 0.418 |
Ti9N8F2 | 7.83 | 89.94 | 90.13 | 1.102 | 0.115 |
TiCrCO2 | 24.28 | 91.20 | 90.13 | 10.005 | 0.752 |
TiHfCO2 | 2.89 | 90.58 | 90.12 | 0.735 | 0.065 |
TiHfN(NO)2 | 4.51 | 90.98 | 90.16 | 0.947 | 0.074 |
TiMoCO2 | 5.12 | 90.95 | 90.01 | 1.430 | 0.115 |
TiNbC | 4.69 | 90.57 | 89.98 | 1.531 | 0.132 |
TiVC | 2.89 | 90.51 | 90.04 | 1.339 | 0.120 |
TiWCO2 | 0.90 | 91.07 | 89.94 | 0.178 | 0.014 |
TiZrCO2 | 8.58 | 91.25 | 90.13 | 3.616 | 0.279 |
V2C | 5.27 | 90.96 | 90.03 | 2.281 | 0.187 |
V2C(OH)2 | 3.83 | 90.29 | 90.11 | 2.185 | 0.206 |
V2CBr2 | 1.74 | 90.32 | 90.05 | 0.239 | 0.022 |
V2CF(OH) | 8.27 | 91.13 | 90.01 | 3.546 | 0.280 |
V2CF2 | 3.34 | 90.80 | 90.10 | 1.038 | 0.086 |
V2CO2 | 5.46 | 91.28 | 90.04 | 2.529 | 0.190 |
V2CrCN | 15.01 | 94.18 | 90.48 | 24.408 | 0.778 |
V2CrCNO2 | 7.42 | 92.49 | 90.20 | 4.070 | 0.219 |
V2HfCN | 15.50 | 94.00 | 90.48 | 14.578 | 0.490 |
V2HfCNO2 | 15.70 | 86.33 | 90.28 | 8.060 | 1.502 |
V2MoCN | 15.36 | 94.15 | 90.55 | 19.959 | 0.636 |
V2MoCNO2 | 15.40 | 87.59 | 90.32 | 10.561 | 1.633 |
V2N | 3.36 | 90.57 | 90.15 | 0.997 | 0.087 |
V2N(OH)2 | 3.19 | 90.55 | 90.00 | 1.427 | 0.126 |
V2Nb2C3 | 5.87 | 92.72 | 90.25 | 2.854 | 0.147 |
V2NbCN | 15.69 | 94.17 | 90.51 | 21.095 | 0.683 |
V2NbCNO2 | 15.33 | 87.55 | 90.25 | 10.686 | 1.630 |
V2NF2 | 4.07 | 90.59 | 90.19 | 1.052 | 0.091 |
V2NO2 | 4.49 | 91.05 | 90.08 | 1.682 | 0.133 |
V2Ta2C3 | 0.04 | 92.21 | 90.23 | 0.000 | 0.000 |
V2TaC2 | 11.00 | 91.86 | 90.24 | 0.070 | 0.004 |
V2TaCN | 16.26 | 94.17 | 90.50 | 0.280 | 0.009 |
V2TaCNO2 | 15.46 | 87.30 | 90.33 | 0.151 | 0.025 |
V2Ti2C3 | 756.95 | 93.23 | 90.31 | 619.047 | 27.571 |
V2TiC2 | 9.30 | 92.47 | 90.23 | 7.704 | 0.421 |
V2TiCN | 14.77 | 94.10 | 90.53 | 23.729 | 0.773 |
V2TiCNO2 | 15.27 | 87.83 | 90.34 | 12.917 | 1.871 |
V2ZrCN | 7.07 | 91.76 | 90.20 | 5.131 | 0.335 |
V2ZrCNO2 | 15.53 | 86.88 | 90.23 | 10.842 | 1.931 |
V3C2 | 4.00 | 91.48 | 90.16 | 1.762 | 0.126 |
V3C2(OH)2 | 5.52 | 86.75 | 89.82 | 2.853 | 0.506 |
V3C2Br2 | 3.50 | 89.90 | 89.88 | 0.467 | 0.047 |
V3C2CI2 | 15.41 | 90.04 | 90.14 | 6.267 | 0.610 |
V3C2F2 | 6.35 | 89.98 | 90.06 | 1.885 | 0.189 |
V3C2O2 | 10.90 | 90.35 | 90.14 | 5.009 | 0.453 |
V3CN | 20.20 | 93.22 | 90.35 | 22.363 | 0.931 |
V3CNO2 | 8.92 | 89.97 | 90.43 | 8.530 | 0.859 |
V3N2 | 3.15 | 90.82 | 90.16 | 0.652 | 0.053 |
V3N2(OH)2 | 12.57 | 82.77 | 90.05 | 9.989 | 3.271 |
V3N2F2 | 6.42 | 89.77 | 90.10 | 1.493 | 0.157 |
V3N2H2 | 6.89 | 90.06 | 90.07 | 2.350 | 0.231 |
V3N2O2 | 7.37 | 90.28 | 90.12 | 2.598 | 0.238 |
V4C3 | 4.67 | 91.49 | 90.20 | 1.643 | 0.114 |
V4C3(OH)2 | 13.34 | 87.23 | 89.99 | 6.036 | 0.977 |
V4C3F2 | 5.76 | 90.50 | 90.08 | 1.363 | 0.122 |
V4C3H2 | 4.60 | 90.16 | 90.03 | 0.814 | 0.079 |
V4C3O2 | 7.60 | 90.90 | 90.19 | 2.724 | 0.225 |
V4N3 | 3.10 | 90.93 | 90.12 | 0.642 | 0.051 |
V4N3(OH)2 | 8.34 | 89.65 | 90.14 | 2.723 | 0.296 |
V4N3F2 | 4.22 | 90.59 | 90.05 | 0.751 | 0.064 |
V4N3H2 | 3.77 | 90.17 | 90.00 | 0.515 | 0.049 |
V4N3O2 | 5.92 | 90.81 | 90.05 | 1.519 | 0.128 |
VCrN(NCS)2 | 14.22 | 24.11 | 70.75 | 5.663 | 91.493 |
VCrN(SCN)2 | 18.49 | 73.37 | 89.58 | 18.045 | 15.060 |
VCrNBr2 | 17.35 | 78.67 | 90.62 | 18.429 | 9.184 |
VCrNF2 | 3.70 | 90.99 | 90.06 | 1.198 | 0.094 |
VMoN(NCO)2 | 14.39 | 88.90 | 90.30 | 12.613 | 1.538 |
VMoN(NCS)2 | 15.05 | 28.47 | 76.23 | 6.101 | 79.280 |
VMoN(OCN)2 | 15.59 | 88.13 | 90.34 | 14.643 | 2.006 |
VMoN(SCN)2 | 18.87 | 76.61 | 89.71 | 16.252 | 9.946 |
VMoNBr2 | 17.14 | 81.16 | 90.56 | 16.114 | 6.205 |
VMoNCI2 | 15.57 | 88.49 | 90.48 | 18.969 | 2.565 |
VNbC | 2.05 | 90.52 | 90.03 | 0.656 | 0.059 |
VNbCF2-(model4) | 4.64 | 91.47 | 90.24 | 2.024 | 0.140 |
VWN(NCO)2 | 12.83 | 89.82 | 90.19 | 7.633 | 0.759 |
VWN(OCN)2 | 15.37 | 88.67 | 90.36 | 10.745 | 1.360 |
VWNBr2 | 16.85 | 84.17 | 90.54 | 12.954 | 3.437 |
VWNCI2 | 15.67 | 88.61 | 90.50 | 14.147 | 1.823 |
VWNF2 | 3.86 | 91.17 | 89.92 | 0.794 | 0.061 |
W1.33C | 32.77 | 49.87 | 65.51 | 47.046 | 154.489 |
W1.33C(OH)2 | 8.32 | 90.76 | 90.16 | 2.972 | 0.243 |
W1.33CO2 | 6.40 | 91.50 | 90.33 | 2.003 | 0.139 |
W2C | 4.41 | 91.54 | 90.16 | 0.894 | 0.063 |
W2C(OH)2 | 10.53 | 88.60 | 90.03 | 2.525 | 0.326 |
W2CCl2 | 15.80 | 90.02 | 90.58 | 11.203 | 1.110 |
W2CF2 | 5.44 | 90.34 | 90.00 | 0.679 | 0.062 |
W2CO2 | 4.94 | 91.22 | 90.04 | 0.890 | 0.067 |
W2Hf2C3O2 | 9.43 | 89.79 | 90.18 | 1.301 | 0.133 |
W2HfC2 | 3.06 | 90.79 | 90.02 | 0.259 | 0.021 |
W2HfC2O2 | 11.30 | 88.79 | 90.04 | 2.271 | 0.280 |
W2N | 3.46 | 91.19 | 89.81 | 0.459 | 0.035 |
W2N(OH)2 | 12.36 | 87.46 | 89.96 | 3.165 | 0.486 |
W2NF2 | 5.57 | 90.28 | 90.19 | 0.658 | 0.061 |
W2NO2 | 6.46 | 90.71 | 90.07 | 1.087 | 0.091 |
W2Ti2C3O2 | 9.40 | 90.12 | 90.19 | 1.928 | 0.187 |
W2TiC2O2 | 11.10 | 89.56 | 90.18 | 2.969 | 0.321 |
W2Zr2C3O2 | 9.63 | 89.65 | 90.11 | 1.683 | 0.181 |
W2ZrC2 | 3.18 | 90.92 | 89.94 | 0.330 | 0.027 |
W2ZrC2O2 | 11.79 | 88.74 | 90.11 | 2.905 | 0.366 |
W3C2 | 7.28 | 92.13 | 90.23 | 1.463 | 0.089 |
W3C2(OH)2 | 0.84 | 89.63 | 89.52 | 0.002 | 0.000 |
W3C2F2 | 8.56 | 89.04 | 89.94 | 0.810 | 0.096 |
W3C2O2 | 10.60 | 88.96 | 90.06 | 1.850 | 0.217 |
W3N2 | 5.09 | 91.26 | 90.11 | 0.558 | 0.041 |
W3N2(OH)2 | 0.02 | 87.50 | 92.31 | 0.000 | 0.000 |
W3N2F2 | 7.84 | 89.26 | 90.06 | 0.531 | 0.058 |
W3N2O2 | 11.58 | 87.98 | 90.07 | 1.591 | 0.236 |
W4C3 | 7.35 | 92.66 | 90.22 | 1.488 | 0.078 |
W4C3(OH)2 | 9.41 | 88.58 | 90.00 | 1.146 | 0.149 |
W4C3F2 | 5.60 | 90.28 | 90.12 | 0.477 | 0.045 |
W4C3H2 | 6.36 | 90.95 | 90.22 | 0.701 | 0.055 |
W4C3O2 | 7.43 | 90.87 | 90.23 | 0.990 | 0.081 |
W4N3 | 4.86 | 91.64 | 90.17 | 0.571 | 0.040 |
W4N3(OH)2 | 11.72 | 89.61 | 90.16 | 2.052 | 0.215 |
W4N3F2 | 8.11 | 92.31 | 90.33 | 1.300 | 0.072 |
W4N3H2 | 5.52 | 91.06 | 90.10 | 0.494 | 0.038 |
W4N3O2 | 5.13 | 90.93 | 90.18 | 0.516 | 0.042 |
WCrC | 2.49 | 90.65 | 90.04 | 0.464 | 0.039 |
WCrCO2-(model4) | 5.08 | 91.50 | 89.99 | 1.355 | 0.097 |
Y2C | 2.45 | 90.72 | 90.01 | 0.711 | 0.060 |
Y2C(CN)2 | 8.08 | 90.69 | 90.16 | 4.485 | 0.380 |
Y2C(NCO)2 | 11.88 | 89.99 | 90.16 | 8.749 | 0.876 |
Y2C(NCS)2 | 23.56 | 81.62 | 89.99 | 19.382 | 7.114 |
Y2C(OCI)2 | 14.35 | 89.25 | 90.38 | 13.156 | 1.450 |
Y2C(OCN)2 | 12.87 | 90.35 | 90.17 | 10.163 | 0.918 |
Y2C(OH)2 | 4.34 | 89.97 | 90.13 | 1.111 | 0.111 |
Y2C(SCN)2 | 20.42 | 85.66 | 90.08 | 20.129 | 4.321 |
Y2CBr2 | 13.02 | 89.61 | 90.24 | 10.036 | 1.052 |
Y2CCl2 | 11.40 | 90.25 | 90.26 | 10.171 | 0.940 |
Y2CF2 | 3.97 | 90.77 | 89.97 | 1.152 | 0.095 |
Y2CO2 | 6.59 | 91.52 | 90.22 | 3.588 | 0.253 |
Y2N | 2.21 | 90.57 | 89.96 | 0.520 | 0.046 |
Y2N(OH)2 | 4.57 | 89.97 | 90.01 | 1.160 | 0.115 |
Y2NF2 | 3.61 | 90.52 | 90.10 | 0.842 | 0.074 |
Y2NO2 | 5.69 | 91.41 | 90.03 | 2.628 | 0.187 |
Y3C2 | 4.38 | 90.62 | 90.03 | 1.002 | 0.084 |
Y3C2(OH)2 | 2.28 | 89.59 | 89.85 | 0.077 | 0.008 |
Y3C2F2 | 7.26 | 89.88 | 89.98 | 1.766 | 0.176 |
Y3C2O2 | 10.14 | 89.03 | 89.86 | 2.539 | 0.310 |
Y3N2 | 3.74 | 90.52 | 90.02 | 0.683 | 0.059 |
Y3N2(OH)2 | 9.15 | 88.61 | 89.84 | 2.306 | 0.296 |
Y3N2F2 | 7.78 | 89.75 | 90.07 | 2.040 | 0.214 |
Y3N2O2 | 8.71 | 89.23 | 90.04 | 1.984 | 0.236 |
Y4C3 | 4.17 | 90.90 | 90.13 | 0.955 | 0.076 |
Y4C3(OH)2 | 2.00 | 89.43 | 90.11 | 0.051 | 0.006 |
Y4C3F2 | 8.16 | 89.91 | 90.06 | 1.882 | 0.187 |
Y4C3O2 | 13.24 | 90.29 | 90.28 | 6.201 | 0.581 |
Y4N3 | 2.95 | 90.77 | 90.05 | 0.484 | 0.041 |
Y4N3(OH)2 | 6.74 | 89.16 | 90.04 | 1.200 | 0.137 |
Y4N3F2 | 6.61 | 91.17 | 90.16 | 1.705 | 0.131 |
Y4N3O2 | 6.93 | 90.47 | 90.06 | 1.583 | 0.140 |
YCrC(NCO)2 | 12.90 | 89.56 | 90.16 | 10.579 | 1.114 |
YCrC(NCS)2 | 18.00 | 44.51 | 85.14 | 12.134 | 68.444 |
YCrC(OCN)2 | 14.65 | 88.86 | 90.33 | 13.666 | 1.713 |
YCrC(OH)2 | 7.54 | 90.18 | 90.03 | 3.551 | 0.339 |
YCrCBr2 | 15.94 | 87.30 | 90.46 | 15.920 | 2.563 |
YCrCCl2 | 13.44 | 90.54 | 90.40 | 15.871 | 1.384 |
YCrCF2 | 5.09 | 91.42 | 90.17 | 2.019 | 0.143 |
YHfN(SCN)2 | 18.34 | 85.07 | 90.17 | 13.976 | 3.181 |
YHfNO2 | 4.79 | 90.83 | 90.10 | 0.981 | 0.079 |
YMoN(NO)2 | 3.87 | 90.88 | 90.08 | 0.979 | 0.080 |
YNbCO2 | 4.75 | 90.98 | 90.17 | 1.594 | 0.123 |
YTaCO2 | 4.69 | 90.88 | 90.15 | 0.020 | 0.002 |
YTiN(NO)2 | 4.66 | 91.04 | 90.18 | 1.677 | 0.132 |
YTiNO2 | 4.58 | 90.97 | 90.01 | 1.489 | 0.120 |
YVCO2 | 4.49 | 90.90 | 90.16 | 1.697 | 0.135 |
YVNF2 | 4.41 | 90.82 | 90.27 | 1.331 | 0.109 |
YZrNO2 | 4.98 | 90.87 | 90.09 | 1.455 | 0.118 |
Zr2C | 2.91 | 90.95 | 90.07 | 0.923 | 0.073 |
Zr2C(OH)2 | 5.59 | 89.95 | 89.93 | 1.597 | 0.158 |
Zr2CF2 | 3.64 | 90.59 | 90.18 | 0.812 | 0.071 |
Zr2CF2-(model2) | 4.43 | 91.17 | 90.23 | 1.281 | 0.098 |
Zr2CF2-(model3) | 3.91 | 91.23 | 90.15 | 1.471 | 0.110 |
Zr2CO2 | 5.27 | 91.20 | 90.14 | 1.937 | 0.139 |
Zr2CrCN | 11.82 | 93.55 | 90.43 | 9.393 | 0.364 |
Zr2CrCNO2 | 14.80 | 87.22 | 90.18 | 7.835 | 1.276 |
Zr2HfCN | 12.07 | 93.27 | 90.40 | 6.184 | 0.262 |
Zr2HfCNO2 | 15.16 | 85.17 | 90.06 | 5.487 | 1.264 |
Zr2MoCN | 11.47 | 93.38 | 90.37 | 7.471 | 0.313 |
Zr2MoCNO2 | 15.11 | 86.29 | 90.17 | 6.858 | 1.301 |
Zr2N | 2.44 | 90.65 | 90.18 | 0.591 | 0.052 |
Zr2N(OH)2 | 5.53 | 89.87 | 90.19 | 1.511 | 0.159 |
Zr2NbCN | 11.75 | 93.44 | 90.48 | 7.850 | 0.318 |
Zr2NbCNO2 | 15.14 | 86.53 | 90.14 | 7.001 | 1.296 |
Zr2NF2 | 3.24 | 90.58 | 90.00 | 0.636 | 0.057 |
Zr2NF2-(model2) | 4.33 | 91.31 | 90.19 | 1.495 | 0.109 |
Zr2NF2-(model4) | 4.30 | 90.94 | 90.17 | 1.123 | 0.093 |
Zr2NO2 | 4.31 | 90.94 | 90.05 | 1.243 | 0.101 |
Zr2TaCN | 11.98 | 93.51 | 90.42 | 0.137 | 0.006 |
Zr2TaCNO2 | 15.15 | 86.26 | 90.18 | 0.129 | 0.025 |
Zr2TiCN | 11.72 | 93.45 | 90.44 | 9.174 | 0.380 |
Zr2TiCNO2 | 14.93 | 86.74 | 90.16 | 7.950 | 1.393 |
Zr2VCN | 11.59 | 93.53 | 90.39 | 9.019 | 0.365 |
Zr2VCNO2 | 14.78 | 87.20 | 90.15 | 7.844 | 1.281 |
Zr3C2 | 4.43 | 91.29 | 90.19 | 1.283 | 0.093 |
Zr3C2(OH)2 | 6.54 | 89.38 | 89.91 | 0.984 | 0.113 |
Zr3C2F2 | 5.84 | 90.03 | 90.09 | 1.146 | 0.114 |
Zr3C2H2 | 4.88 | 89.66 | 89.85 | 0.581 | 0.063 |
Zr3C2O2 | 8.76 | 90.08 | 90.17 | 2.959 | 0.281 |
Zr3CN | 5.58 | 91.65 | 90.23 | 1.944 | 0.127 |
Zr3CNO2 | 10.70 | 90.35 | 90.12 | 4.617 | 0.429 |
Zr3N2(OH)3 | 5.19 | 89.42 | 90.02 | 0.446 | 0.050 |
Zr3N2 | 3.52 | 90.89 | 90.10 | 0.649 | 0.052 |
Zr3N2F2 | 5.52 | 89.84 | 90.07 | 0.821 | 0.086 |
Zr3N2H2 | 5.23 | 89.67 | 90.03 | 0.673 | 0.068 |
Zr3N2O2 | 7.44 | 90.15 | 90.06 | 2.030 | 0.197 |
Zr4C3 | 4.66 | 91.39 | 90.15 | 1.145 | 0.083 |
Zr4C3(OH)2 | 7.56 | 88.81 | 89.92 | 1.181 | 0.151 |
Zr4C3F2 | 6.09 | 90.11 | 90.01 | 1.031 | 0.101 |
Zr4C3H2 | 7.85 | 89.68 | 90.13 | 1.662 | 0.177 |
Zr4C3O2 | 8.94 | 90.53 | 90.12 | 2.580 | 0.225 |
Zr4N3 | 3.43 | 90.91 | 90.08 | 0.515 | 0.042 |
Zr4N3(OH)2 | 7.73 | 88.85 | 90.02 | 1.177 | 0.142 |
Zr4N3F2 | 5.27 | 90.14 | 89.95 | 0.701 | 0.067 |
Zr4N3O2 | 7.24 | 90.48 | 90.09 | 1.591 | 0.143 |
ZrCrNO2 | 4.85 | 91.10 | 90.10 | 1.571 | 0.119 |
ZrHfCO2 | 4.66 | 90.85 | 90.09 | 0.923 | 0.076 |
ZrMoCO2 | 3.57 | 90.81 | 90.10 | 0.784 | 0.063 |