Table 5. CO2/H2 mixture adsorption performance of MXene structures at VTSA conditions.
MXene | CO2/H2 Selectivity | %R | APS |
0.1 bar 250°C | VTSA | VTSA | |
(CrV)3C2 | 2.09 | 98.34 | 0.089 |
(Mo0.66Y0.33)2CO2 | 2.09 | 97.78 | 0.031 |
(TiV)3C2 | 2.05 | 98.46 | 0.109 |
(TiV)C(OH)2 | 2.42 | 97.38 | 0.033 |
(TiV)CF2 | 1.82 | 97.68 | 0.042 |
(TiV)CO2 | 1.89 | 97.75 | 0.042 |
(W0.66Y0.33)2CO2 | 3.71 | 99.53 | 0.528 |
Cr2C | 1.61 | 97.27 | 0.032 |
Cr2C(OH)2 | 2.38 | 98.37 | 0.085 |
Cr2CBr2 | 4.97 | 99.24 | 1.248 |
Cr2CCl2 | 4.18 | 98.96 | 0.670 |
Cr2CF2 | 1.67 | 97.36 | 0.023 |
Cr2CFCl | 2.11 | 97.97 | 0.060 |
Cr2CH2 | 1.37 | 97.06 | 0.016 |
Cr2CO2 | 2.33 | 98.15 | 0.070 |
Cr2CS2 | 7.83 | 99.54 | 11.419 |
Cr2HfCN | 2.49 | 98.34 | 0.070 |
Cr2HfCNO2 | 3.67 | 98.93 | 0.204 |
Cr2MoCN | 2.74 | 98.43 | 0.126 |
Cr2MoCNO2 | 3.84 | 98.90 | 0.290 |
Cr2N | 1.38 | 96.79 | 0.015 |
Cr2N(OH)2 | 2.23 | 98.31 | 0.071 |
Cr2Nb2C3 | 2.32 | 98.13 | 0.053 |
Cr2NbCN | 2.72 | 98.47 | 0.140 |
Cr2NbCNO2 | 3.98 | 98.91 | 0.314 |
Cr2NF2 | 1.50 | 97.31 | 0.017 |
Cr2NH2 | 1.51 | 97.24 | 0.017 |
Cr2NO2 | 1.72 | 97.71 | 0.032 |
Cr2Ta2C3 | 2.06 | 98.09 | 0.000 |
Cr2TaC2 | 1.72 | 97.08 | 0.000 |
Cr2TaCN | 2.59 | 98.44 | 0.001 |
Cr2TaCNO2 | 3.80 | 98.89 | 0.004 |
Cr2Ti2C3 | 2.35 | 98.31 | 0.091 |
Cr2TiC2 | 1.72 | 97.57 | 0.027 |
Cr2TiC2(OH)2 | 4.01 | 99.33 | 0.656 |
Cr2TiC2F2 | 3.64 | 98.86 | 0.317 |
Cr2TiC2O2 | 3.73 | 98.88 | 0.312 |
Cr2TiCN | 2.94 | 98.58 | 0.197 |
Cr2TiCNO2 | 3.91 | 98.95 | 0.416 |
Cr2V2C3 | 2.49 | 98.28 | 0.094 |
Cr2VC2 | 1.74 | 97.43 | 0.026 |
Cr2VCN | 2.86 | 98.61 | 0.213 |
Cr2VCNO2 | 3.91 | 98.96 | 0.396 |
Cr2ZrCN | 2.52 | 98.33 | 0.106 |
Cr2ZrCNO2 | 3.96 | 99.19 | 0.597 |
Cr3C2 | 1.82 | 97.83 | 0.042 |
Cr3C2(OH)2 | 2.84 | 99.15 | 0.192 |
Cr3C2F2 | 2.00 | 98.23 | 0.037 |
Cr3C2H2 | 2.17 | 98.37 | 0.060 |
Cr3C2O2 | 2.54 | 99.72 | 2.309 |
Cr3CN | 2.75 | 98.62 | 0.189 |
Cr3CNO2 | 4.14 | 99.05 | 0.519 |
Cr3N2 | 1.58 | 97.24 | 0.015 |
Cr3N2(OH)2 | 5.69 | 97.22 | 0.099 |
Cr3N2H2 | 5.69 | 97.30 | 0.073 |
Cr3N2O2 | 2.45 | 98.32 | 0.101 |
Cr4C3 | 2.95 | 98.47 | 0.040 |
Cr4C3(OH)2 | 1.94 | 98.10 | 0.100 |
Cr4C3F2 | 2.87 | 97.56 | 0.024 |
Cr4C3H2 | 2.20 | 98.13 | 0.035 |
Cr4C3O2 | 2.58 | 98.27 | 0.054 |
Cr4N3 | 1.54 | 97.17 | 0.015 |
Cr4N3(OH)2 | 2.65 | 98.63 | 0.069 |
Cr4N3F2 | 1.77 | 97.75 | 0.017 |
Cr4N3H2 | 1.96 | 97.83 | 0.022 |
Cr4N3O2 | 2.13 | 98.04 | 0.030 |
CrMoCF2 | 1.73 | 97.64 | 0.026 |
CrWCF2 | 1.94 | 97.67 | 0.022 |
Hf2C | 1.62 | 97.11 | 0.012 |
Hf2C(OH)2 | 2.22 | 98.49 | 0.031 |
Hf2CF2 | 1.69 | 97.62 | 0.012 |
Hf2CF2 -(model2) | 1.75 | 97.58 | 0.013 |
Hf2CF2 -(model3) | 1.66 | 97.32 | 0.014 |
Hf2CF2 -(model4) | 1.63 | 97.35 | 0.012 |
Hf2CO2 | 2.05 | 97.90 | 0.023 |
Hf2CO2 -(model2) | 1.86 | 97.72 | 0.013 |
Hf2CO2 -(model3) | 1.69 | 97.50 | 0.014 |
Hf2CO2 -(model4) | 1.77 | 97.55 | 0.017 |
Hf2CrCN | 2.16 | 98.02 | 0.027 |
Hf2CrCNO2 | 3.10 | 98.69 | 0.066 |
Hf2MoCN | 2.09 | 98.39 | 0.045 |
Hf2MoCNO2 | 2.94 | 99.38 | 0.236 |
Hf2N | 1.51 | 96.66 | 0.008 |
Hf2N(OH)2 | 2.43 | 98.65 | 0.038 |
Hf2NbCN | 2.05 | 97.82 | 0.021 |
Hf2NbCNO2 | 2.81 | 98.83 | 0.060 |
Hf2NF2 | 1.72 | 97.61 | 0.010 |
Hf2NF2 -(model2) | 1.81 | 97.40 | 0.014 |
Hf2NF2 -(model4) | 1.99 | 97.77 | 0.026 |
Hf2NO2 | 1.93 | 97.67 | 0.018 |
Hf2TaCN | 2.04 | 97.87 | 0.001 |
Hf2TaCNO2 | 2.93 | 98.86 | 0.002 |
Hf2TiCN | 2.04 | 97.98 | 0.026 |
Hf2TiCNO2 | 2.70 | 98.77 | 0.064 |
Hf2VCN | 2.17 | 97.82 | 0.024 |
Hf2VCNO2 | 2.74 | 98.76 | 0.063 |
Hf2ZrCN | 1.97 | 97.76 | 0.019 |
Hf2ZrCNO2 | 2.67 | 98.85 | 0.060 |
Hf3C2 | 1.99 | 97.68 | 0.015 |
Hf3C2(OH)2 | 1.67 | 99.24 | 0.025 |
Hf3C2F2 | 2.29 | 98.15 | 0.017 |
Hf3C2H2 | 1.19 | 98.37 | 0.003 |
Hf3C2O2 | 2.70 | 98.59 | 0.044 |
Hf3CN | 1.93 | 97.75 | 0.015 |
Hf3CNO2 | 2.81 | 98.68 | 0.056 |
Hf3N2 | 1.81 | 97.44 | 0.008 |
Hf3N2(OH)2 | 1.25 | 99.25 | 0.011 |
Hf3N2F2 | 1.78 | 98.62 | 0.014 |
Hf3N2H2 | 1.37 | 98.65 | 0.007 |
Hf3N2O2 | 2.53 | 98.51 | 0.031 |
Hf4C3 | 1.66 | 97.61 | 0.007 |
Hf4C3(OH)2 | 2.37 | 98.66 | 0.024 |
Hf4C3F2 | 2.33 | 98.28 | 0.016 |
Hf4C3H2 | 1.45 | 98.46 | 0.005 |
Hf4C3O2 | 2.75 | 98.57 | 0.036 |
Hf4N3 | 1.64 | 97.44 | 0.006 |
Hf4N3(OH)2 | 1.97 | 99.10 | 0.027 |
Hf4N3F2 | 2.09 | 98.14 | 0.010 |
Hf4N3H2 | 1.57 | 98.14 | 0.004 |
Hf4N3O2 | 2.51 | 98.38 | 0.023 |
HfCrNO2 | 1.94 | 97.80 | 0.022 |
Mn2C | 1.64 | 97.17 | 0.032 |
Mn2C(OH)2 | 2.42 | 98.25 | 0.077 |
Mn2CF2 | 1.76 | 97.44 | 0.022 |
Mn2CO2 | 1.85 | 97.78 | 0.039 |
Mn2N | 1.42 | 96.69 | 0.013 |
Mn2N(OH)2 | 2.04 | 97.98 | 0.045 |
Mn2NF2 | 1.44 | 97.35 | 0.016 |
Mn2NO2 | 1.93 | 97.55 | 0.031 |
Mn3C2 | 1.91 | 97.73 | 0.042 |
Mn3C2(OH)2 | 2.95 | 99.11 | 0.201 |
Mn3C2F2 | 2.19 | 98.13 | 0.036 |
Mn3C2O2 | 2.55 | 98.45 | 0.072 |
Mn3N2 | 1.58 | 97.30 | 0.021 |
Mn3N2(OH)2 | 2.70 | 99.13 | 0.150 |
Mn3N2F2 | 1.98 | 97.93 | 0.024 |
Mn4C3 | 2.00 | 97.76 | 0.039 |
Mn4C3(OH)2 | 2.92 | 98.95 | 0.132 |
Mn4C3F2 | 2.08 | 98.05 | 0.027 |
Mn4C3O2 | 2.46 | 98.13 | 0.043 |
Mn4N3 | 1.91 | 97.50 | 0.018 |
Mn4N3(OH)2 | 2.76 | 98.93 | 0.102 |
Mn4N3O2 | 2.09 | 98.04 | 0.027 |
Mo1.33C | 1.67 | 98.16 | 0.078 |
Mo2C | 1.76 | 97.33 | 0.026 |
Mo2C(NCS)2 | 13.08 | 99.83 | 117.846 |
Mo2C(OCN)2 | 4.08 | 99.12 | 0.507 |
Mo2C(OH)2 | 2.16 | 98.12 | 0.039 |
Mo2C(SCN)2 | 5.30 | 99.56 | 2.171 |
Mo2CBr2 | 4.64 | 99.21 | 0.767 |
Mo2CCl2 | 3.63 | 98.91 | 0.347 |
Mo2CF2 | 1.72 | 97.31 | 0.016 |
Mo2CF2 -(model4) | 1.88 | 97.80 | 0.038 |
Mo2CO2 | 2.25 | 98.16 | 0.044 |
Mo2CO2 -(model4) | 1.90 | 97.75 | 0.025 |
Mo2CrCN | 2.51 | 98.35 | 0.083 |
Mo2CrCNO2 | 3.58 | 98.74 | 0.163 |
Mo2CS2 | 7.44 | 88.24 | 0.011 |
Mo2Hf2C3O2 | 2.78 | 98.73 | 0.044 |
Mo2HfC2 | 1.56 | 97.13 | 0.008 |
Mo2HfC2O2 | 2.81 | 98.90 | 0.083 |
Mo2HfCN | 2.37 | 98.05 | 0.036 |
Mo2HfCNO2 | 3.34 | 98.79 | 0.106 |
Mo2N | 1.56 | 97.12 | 0.015 |
Mo2N(OH)2 | 2.93 | 99.17 | 0.202 |
Mo2Nb2C3 | 2.15 | 98.02 | 0.033 |
Mo2NbC2 | 1.56 | 97.28 | 0.010 |
Mo2NbCN | 2.41 | 98.25 | 0.055 |
Mo2NbCNO2 | 3.35 | 98.79 | 0.142 |
Mo2NF2 | 2.19 | 98.04 | 0.026 |
Mo2NO2 | 2.23 | 98.06 | 0.036 |
Mo2ScC2 | 1.71 | 97.14 | 0.013 |
Mo2ScC2O2 | 3.00 | 98.89 | 0.109 |
Mo2Ta2C3 | 2.03 | 97.95 | 0.000 |
Mo2TaCN | 2.29 | 98.18 | 0.001 |
Mo2TaCNO2 | 3.18 | 98.77 | 0.002 |
Mo2TaC2 | 1.54 | 97.13 | 0.000 |
Mo2Ti2C3 | 2.34 | 98.15 | 0.052 |
Mo2Ti2C3(OH)1.5F0.5 | 3.32 | 99.02 | 0.177 |
Mo2Ti2C3O1.5F0.5 | 2.71 | 98.42 | 0.058 |
Mo2Ti2C3O2 | 2.86 | 98.59 | 0.068 |
Mo2TiC2 | 1.60 | 97.24 | 0.014 |
Mo2TiC2(O1.5F0.5) | 1.76 | 99.53 | 0.290 |
Mo2TiC2(OH)2 | 3.35 | 99.34 | 0.369 |
Mo2TiC2F2 | 3.06 | 98.61 | 0.128 |
Mo2TiC2O2 | 2.99 | 98.67 | 0.096 |
Mo2TiCN | 2.47 | 98.29 | 0.074 |
Mo2TiCNO2 | 3.45 | 98.78 | 0.162 |
Mo2V2C3 | 2.26 | 98.16 | 0.051 |
Mo2VC2 | 1.61 | 97.31 | 0.014 |
Mo2VCN | 2.56 | 98.27 | 0.073 |
Mo2VCNO2 | 3.23 | 98.82 | 0.153 |
Mo2Zr2C3O2 | 2.66 | 98.80 | 0.063 |
Mo2ZrC2 | 1.62 | 97.05 | 0.010 |
Mo2ZrC2O2 | 2.93 | 98.98 | 0.121 |
Mo2ZrCN | 2.29 | 98.16 | 0.049 |
Mo2ZrCNO2 | 3.29 | 98.79 | 0.137 |
Mo3C2 | 2.19 | 97.98 | 0.035 |
Mo3C2(OH)2 | 0.70 | 99.27 | 0.003 |
Mo3C2F2 | 2.31 | 98.93 | 0.046 |
Mo3C2H2 | 2.71 | 98.72 | 0.071 |
Mo3C2O2 | 3.29 | 99.09 | 0.164 |
Mo3CN | 2.26 | 98.25 | 0.052 |
Mo3N2 | 1.80 | 97.70 | 0.016 |
Mo3N2(OH)2 | 0.16 | 99.07 | 0.000 |
Mo3N2F2 | 2.07 | 99.06 | 0.038 |
Mo3N2H2 | 2.05 | 98.17 | 0.024 |
Mo3N2O2 | 2.79 | 99.11 | 0.102 |
Mo4C3 | 2.07 | 98.11 | 0.034 |
Mo4C3(OH)2 | 2.60 | 99.03 | 0.075 |
Mo4C3F2 | 2.28 | 98.09 | 0.021 |
Mo4C3O2 | 2.71 | 98.54 | 0.049 |
Mo4N3 | 1.80 | 97.52 | 0.013 |
Mo4N3(OH)2 | 2.37 | 98.47 | 0.034 |
Mo4N3F2 | 1.93 | 97.69 | 0.013 |
Mo4N3H2 | 1.91 | 98.03 | 0.012 |
Mo4N3O2 | 1.92 | 98.01 | 0.021 |
MoCrC | 1.45 | 96.58 | 0.015 |
MoCrCO2 -(model4) | 1.94 | 97.89 | 0.036 |
MoWC | 1.43 | 96.58 | 0.008 |
MoWC(NCO)2 | 3.86 | 99.03 | 0.286 |
MoWC(OCN)2 | 4.14 | 99.11 | 0.383 |
MoWC(SCN)2 | 5.05 | 99.54 | 1.629 |
MoWCCl2 | 3.99 | 98.94 | 0.343 |
MoWCF2 | 0.60 | 97.36 | 0.003 |
MoWCO2-(model2) | 2.05 | 97.83 | 0.022 |
Nb0.4V1.6C | 2.80 | 99.59 | 6.443 |
Nb0.8V1.2C | 2.01 | 99.08 | 0.622 |
Nb1.2V0.8C | 1.88 | 98.48 | 0.169 |
Nb1.33C | 12.24 | 99.90 | 2027.460 |
Nb1.6V0.4C | 1.65 | 97.87 | 0.063 |
Nb2C | 1.65 | 97.26 | 0.025 |
Nb2C(OH)2 | 2.20 | 98.46 | 0.055 |
Nb2CF2 | 1.62 | 97.59 | 0.019 |
Nb2CO2 | 2.03 | 97.87 | 0.035 |
Nb2CrCN | 2.52 | 98.32 | 0.084 |
Nb2CrCNO2 | 3.41 | 98.88 | 0.173 |
Nb2HfCN | 2.16 | 98.11 | 0.036 |
Nb2HfCNO2 | 3.12 | 98.90 | 0.099 |
Nb2MoCN | 2.38 | 98.25 | 0.058 |
Nb2MoCNO2 | 3.58 | 98.84 | 0.141 |
Nb2N | 1.54 | 96.82 | 0.015 |
Nb2N(OH)2 | 2.29 | 98.19 | 0.049 |
Nb2NF2 | 2.13 | 97.86 | 0.023 |
Nb2NH2 | 1.25 | 96.80 | 0.008 |
Nb2NO2 | 1.96 | 97.71 | 0.028 |
Nb2Ta2C3 | 2.05 | 97.94 | 0.000 |
Nb2TaCN | 2.27 | 98.19 | 0.001 |
Nb2TaCNO2 | 3.28 | 98.86 | 0.002 |
Nb2TiCN | 2.44 | 98.20 | 0.074 |
Nb2TiCNO2 | 3.26 | 98.94 | 0.182 |
Nb2VCN | 2.37 | 98.28 | 0.070 |
Nb2VCNO2 | 3.31 | 98.85 | 0.157 |
Nb2W2C3 | 2.21 | 98.10 | 0.026 |
Nb2Zr2C3 | 2.09 | 97.97 | 0.031 |
Nb2ZrCN | 2.41 | 98.05 | 0.049 |
Nb2ZrCNO2 | 3.20 | 98.81 | 0.120 |
Nb3C2 | 1.98 | 97.88 | 0.034 |
Nb3C2(OH)2 | 1.90 | 99.32 | 0.068 |
Nb3C2F2 | 2.31 | 98.42 | 0.035 |
Nb3C2H2 | 1.89 | 98.44 | 0.021 |
Nb3C2O2 | 2.64 | 98.74 | 0.082 |
Nb3CN | 2.14 | 98.20 | 0.051 |
Nb3CNO2 | 3.17 | 98.87 | 0.135 |
Nb3N2 | 1.85 | 97.61 | 0.017 |
Nb3N2(OH)2 | 0.40 | 98.86 | 0.000 |
Nb3N2F2 | 1.93 | 98.99 | 0.036 |
Nb3N2H2 | 2.14 | 98.51 | 0.028 |
Nb3N2O2 | 2.64 | 98.71 | 0.065 |
Nb4C3 | 2.05 | 97.90 | 0.026 |
Nb4C3(OH)2 | 2.05 | 99.35 | 0.064 |
Nb4C3F2 | 2.21 | 98.54 | 0.030 |
Nb4C3H2 | 2.01 | 98.24 | 0.016 |
Nb4C3O2 | 2.65 | 98.62 | 0.058 |
Nb4N3 | 1.75 | 97.42 | 0.013 |
Nb4N3(OH)2 | 2.31 | 98.83 | 0.046 |
Nb4N3F2 | 2.01 | 97.89 | 0.016 |
Nb4N3O2 | 2.43 | 98.27 | 0.034 |
Nb5C4(OH)2 | 0.63 | 99.05 | 0.001 |
Nb5C4F2 | 2.26 | 98.52 | 0.023 |
Nb5C4O2 | 2.76 | 98.67 | 0.050 |
NbCrN(NCO)2 | 5.09 | 99.33 | 1.185 |
NbCrN(NCS)2 | 20.37 | 99.87 | 714.112 |
NbCrN(OCN)2 | 4.33 | 99.08 | 0.583 |
NbCrN(SCN)2 | 5.79 | 99.60 | 3.535 |
NbCrNBr2 | 5.65 | 99.22 | 1.302 |
NbCrNCl2 | 4.01 | 98.93 | 0.555 |
NbCrNF2 | 1.80 | 97.65 | 0.028 |
NbMoN(NCO)2 | 3.72 | 98.98 | 0.309 |
NbMoN(NCS)2 | 13.42 | 99.82 | 119.912 |
NbMoN(OCN)2 | 0.17 | 95.90 | 0.000 |
NbMoN(SCN)2 | 5.73 | 99.59 | 2.713 |
NbMoNBr2 | 5.10 | 99.20 | 0.872 |
NbMoNCl2 | 3.76 | 98.86 | 0.338 |
NbMoN(CN)2 | 2.78 | 98.28 | 0.081 |
NbMoNF2 | 1.85 | 97.58 | 0.026 |
NbWN(NCO)2 | 3.97 | 98.96 | 0.249 |
NbWN(NCS)2 | 14.31 | 99.82 | 100.883 |
NbWN(OCN)2 | 3.91 | 99.04 | 0.302 |
NbWN(SCN)2 | 5.48 | 99.52 | 1.783 |
NbWNBr2 | 5.09 | 99.26 | 0.844 |
NbWNCl2 | 3.78 | 98.90 | 0.307 |
NbWN(CN)2 | 2.21 | 97.93 | 0.034 |
NbWNF2 | 1.66 | 97.64 | 0.019 |
Sc2C | 1.31 | 96.40 | 0.019 |
Sc2C(CN)2 | 1.96 | 97.85 | 0.412 |
Sc2C(NCO)2 | 0.66 | 98.94 | 0.004 |
Sc2C(NCS)2 | 10.50 | 99.86 | 109.895 |
Sc2C(OCI)2 | 4.46 | 99.04 | 0.825 |
Sc2C(OCN)2 | 0.75 | 98.92 | 0.005 |
Sc2C(OH)2 | 2.02 | 98.29 | 0.064 |
Sc2C(SCN)2 | 4.72 | 99.34 | 1.506 |
Sc2CBr2 | 4.05 | 98.99 | 0.546 |
Sc2CCl2 | 3.58 | 98.87 | 0.508 |
Sc2CF2 | 1.64 | 97.36 | 0.027 |
Sc2CF2 -(model2) | 1.90 | 97.70 | 0.048 |
Sc2CF2 -(model3) | 1.79 | 97.56 | 0.049 |
Sc2CF2 -(model4) | 2.03 | 97.79 | 0.073 |
Sc2CO2 -(model3) | 1.82 | 97.49 | 0.052 |
Sc2CO2 -(model4) | 1.91 | 97.64 | 0.043 |
Sc2N | 1.18 | 96.29 | 0.013 |
Sc2N(OH)2 | 1.99 | 98.22 | 0.058 |
Sc2NF2 | 1.61 | 97.26 | 0.021 |
Sc2NF2 -(model3) | 1.84 | 97.72 | 0.056 |
Sc2NF2 -(model4) | 1.80 | 97.54 | 0.041 |
Sc2NO2 | 1.74 | 97.57 | 0.038 |
Sc2NO2 -(model2) | 2.15 | 97.92 | 0.054 |
Sc3C2 | 1.58 | 97.15 | 0.023 |
Sc3C2(OH)2 | 1.74 | 99.05 | 0.065 |
Sc3C2Br2 | 2.10 | 98.56 | 0.037 |
Sc3C2F2 | 1.91 | 98.34 | 0.041 |
Sc3C2O2 | 2.16 | 98.08 | 0.066 |
Sc3N2 | 1.37 | 96.71 | 0.012 |
Sc3N2(OH)2 | 1.70 | 99.14 | 0.064 |
Sc3N2F2 | 1.98 | 98.04 | 0.030 |
Sc3N2O2 | 2.16 | 98.16 | 0.052 |
Sc4C3 | 1.64 | 97.51 | 0.028 |
Sc4C3(OH)2 | 2.06 | 99.01 | 0.059 |
Sc4C3F2 | 2.04 | 98.18 | 0.035 |
Sc4C3O2 | 2.54 | 98.41 | 0.071 |
Sc4N3 | 1.36 | 96.84 | 0.010 |
Sc4N3(OH)2 | 1.98 | 98.97 | 0.066 |
Sc4N3F2 | 1.86 | 97.97 | 0.022 |
Sc4N3O2 | 2.08 | 98.17 | 0.041 |
ScCrC(OCN)2 | 4.10 | 99.11 | 0.692 |
ScCrC(OH)2 | 2.50 | 98.45 | 0.120 |
ScCrCF2 | 1.82 | 97.45 | 0.034 |
ScHfN(SCN)2 | 4.80 | 99.51 | 1.295 |
ScHfNO2 | 1.91 | 97.53 | 0.022 |
ScNbCO2 | 1.95 | 97.57 | 0.035 |
ScTaCO2 | 1.76 | 97.75 | 0.000 |
ScTiNO2 | 1.81 | 97.63 | 0.038 |
ScVCO2 | 1.87 | 97.61 | 0.039 |
ScYC(CN)2 | 2.04 | 98.12 | 0.061 |
ScYC(NCO)2 | 3.16 | 98.82 | 0.248 |
ScYC(NCS)2 | 8.03 | 99.78 | 24.278 |
ScYC(OCI)2 | 3.24 | 98.72 | 0.260 |
ScYC(OCN)2 | 3.66 | 98.96 | 0.377 |
ScYC(OH)2 | 2.15 | 98.32 | 0.061 |
ScYC(SCN)2 | 4.53 | 99.45 | 1.445 |
ScYCBr2 | 4.06 | 99.10 | 0.582 |
ScYCCl2 | 3.13 | 98.68 | 0.257 |
ScYCF2 | 1.83 | 97.46 | 0.033 |
ScZrN(SCN)2 | 4.82 | 99.52 | 2.173 |
ScZrNO2 | 1.84 | 97.70 | 0.034 |
Ta2C | 1.73 | 97.55 | 0.000 |
Ta2C(OH)2 | 2.74 | 98.93 | 0.001 |
Ta2CF2 | 1.68 | 97.71 | 0.000 |
Ta2CO2 | 2.09 | 97.99 | 0.000 |
Ta2CrCN | 2.33 | 98.19 | 0.000 |
Ta2CrCNO2 | 3.03 | 98.84 | 0.001 |
Ta2HfCN | 2.23 | 97.94 | 0.000 |
Ta2HfCNO2 | 2.89 | 98.79 | 0.001 |
Ta2MoCN | 2.29 | 98.07 | 0.000 |
Ta2MoCNO2 | 3.18 | 98.78 | 0.001 |
Ta2N | 1.62 | 97.18 | 0.000 |
Ta2N(OH)2 | 2.92 | 99.06 | 0.001 |
Ta2NbCN | 2.22 | 98.09 | 0.000 |
Ta2NbCNO2 | 3.18 | 98.75 | 0.001 |
Ta2NF2 | 2.02 | 98.21 | 0.000 |
Ta2NH2 | 1.30 | 96.72 | 0.000 |
Ta2NO2 | 1.93 | 97.79 | 0.000 |
Ta2TiCN | 2.31 | 98.14 | 0.000 |
Ta2TiCNO2 | 3.18 | 98.85 | 0.001 |
Ta2VCN | 2.22 | 98.19 | 0.000 |
Ta2VCNO2 | 2.93 | 98.78 | 0.001 |
Ta2ZrCN | 2.27 | 98.00 | 0.000 |
Ta2ZrCNO2 | 3.08 | 98.74 | 0.001 |
Ta3C2 | 2.14 | 98.15 | 0.000 |
Ta3C2(OH)2 | 1.60 | 99.33 | 0.000 |
Ta3C2F2 | 2.25 | 98.82 | 0.000 |
Ta3C2H2 | 1.69 | 98.41 | 0.000 |
Ta3C2O2 | 2.80 | 98.69 | 0.001 |
Ta3CN | 2.01 | 97.95 | 0.000 |
Ta3CNO2 | 3.06 | 98.80 | 0.001 |
Ta3N2 | 2.02 | 97.82 | 0.000 |
Ta3N2(OH)2 | 0.07 | 98.88 | 0.000 |
Ta3N2F2 | 1.95 | 99.10 | 0.000 |
Ta3N2H2 | 1.81 | 98.38 | 0.000 |
Ta3N2O2 | 2.78 | 98.84 | 0.001 |
Ta4C3 | 2.22 | 98.12 | 0.000 |
Ta4C3(OH)2 | 2.30 | 99.40 | 0.001 |
Ta4C3F2 | 2.50 | 98.54 | 0.000 |
Ta4C3H2 | 1.76 | 98.33 | 0.000 |
Ta4C3O2 | 2.86 | 98.58 | 0.000 |
Ta4N3 | 1.93 | 97.65 | 0.000 |
Ta4N3(OH)2 | 2.43 | 98.93 | 0.000 |
Ta4N3F2 | 2.16 | 98.01 | 0.000 |
Ta4N3H2 | 1.73 | 98.09 | 0.000 |
Ta4N3O2 | 2.53 | 98.32 | 0.000 |
TaCrN(OCN)2 | 4.04 | 99.03 | 0.006 |
TaCrN(SCN)2 | 5.50 | 99.49 | 0.035 |
TaCrNBr2 | 5.59 | 99.35 | 0.030 |
TaCrNCl2 | 4.08 | 99.05 | 0.008 |
TaCrNF2 | 1.73 | 97.60 | 0.000 |
TaMoN(NCO)2 | 3.42 | 98.92 | 0.004 |
TaMoN(NCS)2 | 11.52 | 99.81 | 1.224 |
TaMoN(SCN)2 | 3.62 | 99.62 | 0.019 |
TaMoNBr2 | 4.75 | 99.16 | 0.015 |
TaMoNCl2 | 3.78 | 98.82 | 0.005 |
TaMoNF2 | 1.84 | 97.52 | 0.000 |
TaWN(CN)2 | 2.20 | 98.04 | 0.001 |
TaWN(NCO)2 | 3.41 | 98.91 | 0.004 |
TaWNBr2 | 5.17 | 99.21 | 0.018 |
TaWNCl2 | 4.24 | 99.00 | 0.007 |
Ti0.4Nb1.6C | 2.18 | 98.24 | 0.120 |
Ti0.8Nb1.2C | 2.59 | 98.89 | 0.377 |
Ti1.2Nb0.8C | 3.09 | 99.39 | 2.128 |
Ti1.5Nb0.5C | 1.66 | 97.92 | 0.082 |
Ti1.6Nb0.4C | 1.68 | 98.91 | 0.352 |
Ti10C9F2 | 3.91 | 99.34 | 0.225 |
Ti10N9F2 | 3.05 | 99.01 | 0.064 |
Ti2C | 1.47 | 96.68 | 0.022 |
Ti2C(OH)2 | 2.36 | 98.51 | 0.097 |
Ti2CCI2 | 1.65 | 97.28 | 0.017 |
Ti2CF2 | 1.64 | 97.49 | 0.024 |
Ti2CF2-(model2) | 2.14 | 97.90 | 0.070 |
Ti2CF2-(model3) | 2.07 | 97.97 | 0.076 |
Ti2CF2-(model4) | 2.27 | 98.30 | 0.144 |
Ti2CO0.11F1.89 | 1.90 | 97.70 | 0.039 |
Ti2CO0.44F1.56 | 1.95 | 97.80 | 0.048 |
Ti2CO0.67F1.33 | 1.95 | 97.77 | 0.048 |
Ti2CO0.89F1.11 | 1.93 | 98.02 | 0.054 |
Ti2CO1.33F0.67 | 2.16 | 97.82 | 0.053 |
Ti2CO2 | 1.91 | 97.66 | 0.041 |
Ti2CO2-(model2) | 3.00 | 97.86 | 0.056 |
Ti2CO2-(model3) | 1.90 | 97.73 | 0.059 |
Ti2CrCN | 2.77 | 98.44 | 0.177 |
Ti2CrCNO2 | 3.79 | 98.89 | 0.333 |
Ti2HfCN | 2.28 | 98.25 | 0.059 |
Ti2HfCNO2 | 3.46 | 98.86 | 0.165 |
Ti2MoCN | 2.46 | 98.34 | 0.106 |
Ti2MoCNO2 | 3.59 | 98.85 | 0.239 |
Ti2N | 1.30 | 96.23 | 0.013 |
Ti2N(OH)2 | 2.25 | 98.33 | 0.076 |
Ti2Nb2C3 | 2.22 | 98.10 | 0.049 |
Ti2NbC2 | 1.55 | 97.32 | 0.017 |
Ti2NbCN | 2.66 | 98.33 | 0.109 |
Ti2NbCNO2 | 3.50 | 98.89 | 0.250 |
Ti2NF2 | 1.56 | 97.19 | 0.019 |
Ti2NF2-(model2) | 2.21 | 97.85 | 0.069 |
Ti2NO2 | 1.81 | 97.69 | 0.034 |
Ti2NO2-(model4) | 1.91 | 98.47 | 0.172 |
Ti2NS2 | 1.73 | 97.25 | 0.018 |
Ti2Ta2C3 | 2.13 | 98.14 | 0.000 |
Ti2TaC2 | 1.55 | 97.15 | 0.000 |
Ti2TaCN | 2.41 | 98.37 | 0.001 |
Ti2TaCNO2 | 3.57 | 98.85 | 0.003 |
Ti2VC2 | 1.71 | 97.49 | 0.027 |
Ti2VCN | 2.51 | 98.47 | 0.154 |
Ti2VCNO2 | 3.79 | 98.84 | 0.310 |
Ti2ZrCN | 2.51 | 98.18 | 0.092 |
Ti2ZrCNO2 | 3.42 | 98.84 | 0.234 |
Ti3C2 | 1.68 | 97.45 | 0.030 |
Ti3C2(O0.13F0.83(OH)1.04) | 3.74 | 99.39 | 0.940 |
Ti3C2(O0.1F1.1(OH)0.8) | 4.09 | 99.44 | 1.383 |
Ti3C2(O0.7F1.3) | 2.76 | 98.64 | 0.127 |
Ti3C2(OH)2 | 2.40 | 99.37 | 0.246 |
Ti3C2Br2 | 2.44 | 98.66 | 0.054 |
Ti3C2CI2 | 2.19 | 98.31 | 0.038 |
Ti3C2F2 | 2.26 | 98.15 | 0.041 |
Ti3C2O2 | 3.00 | 98.55 | 0.087 |
Ti3C2Se2 | 1.71 | 98.25 | 0.016 |
Ti3C2Te2 | 1.55 | 98.37 | 0.009 |
Ti3CN | 2.43 | 98.37 | 0.132 |
Ti3CNF2 | 3.93 | 98.95 | 0.460 |
Ti3CNO2 | 3.65 | 98.98 | 0.403 |
Ti3N2(OH)3 | 2.19 | 99.33 | 0.157 |
Ti3N2 | 1.52 | 96.82 | 0.015 |
Ti3N2F2 | 1.90 | 98.16 | 0.029 |
Ti3N2H2 | 2.30 | 98.57 | 0.072 |
Ti3N2O2 | 2.85 | 98.58 | 0.110 |
Ti4C3 | 1.68 | 97.55 | 0.024 |
Ti4C3(OH)2 | 2.59 | 99.02 | 0.122 |
Ti4C3F2 | 2.12 | 98.04 | 0.029 |
Ti4C3H2 | 2.29 | 98.63 | 0.064 |
Ti4C3O2 | 2.39 | 98.30 | 0.057 |
Ti4N3 | 1.49 | 96.86 | 0.010 |
Ti4N3(OH)2 | 3.41 | 98.92 | 0.181 |
Ti4N3F2 | 1.97 | 97.84 | 0.020 |
Ti4N3H2 | 2.14 | 97.98 | 0.028 |
Ti4N3O2 | 2.23 | 98.05 | 0.035 |
Ti5C4 (OH)2 | 3.69 | 99.23 | 0.301 |
Ti5C4F2 | 2.57 | 98.40 | 0.061 |
Ti5C4O2 | 2.74 | 98.52 | 0.064 |
Ti5N4F2 | 2.39 | 98.13 | 0.034 |
Ti6C5F2 | 3.42 | 99.02 | 0.170 |
Ti6N5F2 | 2.98 | 98.91 | 0.085 |
Ti7C6F2 | 3.78 | 99.21 | 0.223 |
Ti7N6F2 | 3.01 | 99.08 | 0.097 |
Ti8C7F2 | 4.01 | 99.39 | 0.314 |
Ti8N7F2 | 3.00 | 99.15 | 0.092 |
Ti9C8F2 | 3.87 | 99.27 | 0.216 |
Ti9N8F2 | 2.98 | 98.83 | 0.054 |
TiCrCO2 | 1.93 | 97.73 | 0.039 |
TiHfCO2 | 2.22 | 98.04 | 0.034 |
TiHfN(NO)2 | 1.76 | 97.48 | 0.017 |
TiMoCO2 | 1.77 | 97.53 | 0.023 |
TiNbC | 1.30 | 96.42 | 0.016 |
TiVC | 1.26 | 96.65 | 0.024 |
TiWCO2 | 1.81 | 97.50 | 0.017 |
TiZrCO2 | 2.08 | 97.84 | 0.045 |
V2C | 1.51 | 96.98 | 0.027 |
V2C(OH)2 | 2.42 | 98.47 | 0.104 |
V2CBr2 | 1.48 | 97.09 | 0.010 |
V2CF(OH) | 1.94 | 97.81 | 0.041 |
V2CF2 | 1.64 | 97.54 | 0.025 |
V2CO2 | 2.14 | 97.79 | 0.048 |
V2CrCN | 2.72 | 98.52 | 0.178 |
V2CrCNO2 | 3.76 | 98.94 | 0.329 |
V2HfCN | 2.38 | 98.18 | 0.061 |
V2HfCNO2 | 3.32 | 98.88 | 0.141 |
V2MoCN | 2.57 | 98.36 | 0.108 |
V2MoCNO2 | 3.72 | 98.87 | 0.222 |
V2N | 1.31 | 96.65 | 0.015 |
V2N(OH)2 | 2.18 | 98.14 | 0.060 |
V2Nb2C3 | 2.24 | 98.06 | 0.051 |
V2NbCN | 2.58 | 98.36 | 0.111 |
V2NbCNO2 | 3.89 | 99.04 | 0.297 |
V2NF2 | 1.63 | 97.13 | 0.018 |
V2NO2 | 1.85 | 97.56 | 0.034 |
V2Ta2C3 | 2.01 | 98.06 | 0.000 |
V2TaC2 | 1.95 | 98.07 | 0.001 |
V2TaCN | 2.54 | 98.34 | 0.001 |
V2TaCNO2 | 3.31 | 98.87 | 0.003 |
V2Ti2C3 | 2.38 | 98.23 | 0.089 |
V2TiC2 | 2.32 | 98.16 | 0.095 |
V2TiCN | 2.61 | 98.43 | 0.152 |
V2TiCNO2 | 3.69 | 98.92 | 0.316 |
V2ZrCN | 2.44 | 98.87 | 0.179 |
V2ZrCNO2 | 3.58 | 98.89 | 0.210 |
V3C2 | 1.72 | 97.34 | 0.025 |
V3C2(OH)2 | 3.21 | 99.43 | 0.406 |
V3C2Br2 | 1.95 | 98.33 | 0.020 |
V3C2CI2 | 2.80 | 98.69 | 0.102 |
V3C2F2 | 2.27 | 98.61 | 0.061 |
V3C2O2 | 2.65 | 98.58 | 0.105 |
V3CN | 2.42 | 98.38 | 0.133 |
V3CNO2 | 3.63 | 99.00 | 0.393 |
V3N2 | 1.57 | 97.13 | 0.014 |
V3N2(OH)2 | 2.57 | 99.83 | 1.269 |
V3N2F2 | 2.32 | 98.52 | 0.046 |
V3N2H2 | 2.34 | 98.56 | 0.070 |
V3N2O2 | 3.79 | 98.96 | 0.368 |
V4C3 | 1.97 | 97.60 | 0.030 |
V4C3(OH)2 | 3.30 | 99.28 | 0.286 |
V4C3F2 | 2.26 | 98.06 | 0.032 |
V4C3H2 | 1.94 | 98.03 | 0.022 |
V4C3O2 | 2.70 | 98.27 | 0.059 |
V4N3 | 1.56 | 97.13 | 0.014 |
V4N3(OH)2 | 2.51 | 98.79 | 0.081 |
V4N3F2 | 1.97 | 97.65 | 0.018 |
V4N3H2 | 1.65 | 97.86 | 0.014 |
V4N3O2 | 2.26 | 98.05 | 0.033 |
VCrN(NCS)2 | 17.34 | 99.82 | 350.941 |
VCrN(SCN)2 | 6.25 | 99.61 | 5.093 |
VCrNBr2 | 6.28 | 99.40 | 2.546 |
VCrNF2 | 1.71 | 97.49 | 0.026 |
VMoN(NCO)2 | 4.00 | 99.00 | 0.422 |
VMoN(NCS)2 | 15.16 | 99.82 | 183.388 |
VMoN(OCN)2 | 4.13 | 99.08 | 0.547 |
VMoN(SCN)2 | 5.65 | 99.59 | 3.219 |
VMoNBr2 | 5.65 | 99.38 | 1.723 |
VMoNCI2 | 4.51 | 99.03 | 0.681 |
VNbC | 1.29 | 96.48 | 0.016 |
VNbCF2-(model4) | 1.90 | 97.71 | 0.039 |
VWN(NCO)2 | 3.51 | 98.89 | 0.215 |
VWN(OCN)2 | 4.18 | 99.01 | 0.357 |
VWNBr2 | 5.15 | 99.24 | 0.915 |
VWNCI2 | 4.43 | 99.05 | 0.500 |
VWNF2 | 1.81 | 97.43 | 0.016 |
W1.33C | 7.03 | 99.91 | 390.223 |
W1.33C(OH)2 | 2.47 | 98.52 | 0.066 |
W1.33CO2 | 2.21 | 98.07 | 0.038 |
W2C | 1.80 | 97.67 | 0.017 |
W2C(OH)2 | 2.82 | 99.07 | 0.095 |
W2CCl2 | 3.96 | 98.98 | 0.290 |
W2CF2 | 1.95 | 98.16 | 0.017 |
W2CO2 | 1.75 | 98.18 | 0.018 |
W2Hf2C3O2 | 2.90 | 98.76 | 0.038 |
W2HfC2 | 1.62 | 97.24 | 0.006 |
W2HfC2O2 | 3.36 | 98.94 | 0.078 |
W2N | 1.45 | 96.93 | 0.007 |
W2N(OH)2 | 3.30 | 99.22 | 0.148 |
W2NF2 | 2.17 | 98.17 | 0.017 |
W2NO2 | 2.25 | 98.22 | 0.025 |
W2Ti2C3O2 | 2.78 | 98.65 | 0.048 |
W2TiC2O2 | 3.23 | 98.89 | 0.095 |
W2Zr2C3O2 | 2.85 | 98.77 | 0.050 |
W2ZrC2 | 1.62 | 97.28 | 0.007 |
W2ZrC2O2 | 3.41 | 99.01 | 0.100 |
W3C2 | 2.28 | 96.53 | 0.006 |
W3C2(OH)2 | 3.45 | 99.31 | 0.161 |
W3C2F2 | 2.20 | 99.10 | 0.030 |
W3C2O2 | 3.16 | 98.88 | 0.061 |
W3N2 | 3.29 | 96.82 | 0.007 |
W3N2(OH)2 | 0.02 | 95.84 | 0.000 |
W3N2F2 | 1.96 | 99.14 | 0.019 |
W3N2O2 | 3.29 | 98.88 | 0.080 |
W4C3 | 2.20 | 98.11 | 0.021 |
W4C3(OH)2 | 2.70 | 99.06 | 0.044 |
W4C3F2 | 2.24 | 98.18 | 0.013 |
W4C3H2 | 2.26 | 98.15 | 0.015 |
W4C3O2 | 2.85 | 98.50 | 0.033 |
W4N3 | 2.61 | 98.41 | 0.036 |
W4N3(OH)2 | 3.32 | 98.87 | 0.058 |
W4N3F2 | 2.40 | 98.24 | 0.020 |
W4N3H2 | 2.10 | 97.96 | 0.010 |
W4N3O2 | 2.02 | 97.90 | 0.011 |
WCrC | 1.45 | 96.70 | 0.011 |
WCrCO2-(model4) | 1.98 | 97.80 | 0.026 |
Y2C | 1.34 | 96.83 | 0.016 |
Y2C(CN)2 | 2.48 | 98.40 | 0.084 |
Y2C(NCO)2 | 3.07 | 98.91 | 0.238 |
Y2C(NCS)2 | 3.83 | 99.74 | 2.136 |
Y2C(OCI)2 | 3.77 | 98.98 | 0.391 |
Y2C(OCN)2 | 3.27 | 98.85 | 0.254 |
Y2C(OH)2 | 1.77 | 98.18 | 0.031 |
Y2C(SCN)2 | 4.14 | 99.48 | 1.265 |
Y2CBr2 | 3.50 | 98.89 | 0.283 |
Y2CCl2 | 3.05 | 98.83 | 0.262 |
Y2CF2 | 1.64 | 97.68 | 0.027 |
Y2CO2 | 2.19 | 98.11 | 0.069 |
Y2N | 1.37 | 96.64 | 0.012 |
Y2N(OH)2 | 1.73 | 98.34 | 0.032 |
Y2NF2 | 1.81 | 97.45 | 0.020 |
Y2NO2 | 2.05 | 97.95 | 0.052 |
Y3C2 | 1.86 | 97.82 | 0.025 |
Y3C2(OH)2 | 0.51 | 99.11 | 0.002 |
Y3C2F2 | 2.36 | 98.64 | 0.053 |
Y3C2O2 | 2.32 | 99.19 | 0.096 |
Y3N2 | 1.78 | 97.59 | 0.017 |
Y3N2(OH)2 | 2.23 | 99.23 | 0.092 |
Y3N2F2 | 2.52 | 98.60 | 0.058 |
Y3N2O2 | 2.36 | 99.00 | 0.069 |
Y4C3 | 1.81 | 97.78 | 0.021 |
Y4C3(OH)2 | 0.62 | 98.74 | 0.002 |
Y4C3F2 | 2.34 | 98.74 | 0.052 |
Y4C3O2 | 3.13 | 98.94 | 0.168 |
Y4N3 | 1.59 | 97.14 | 0.011 |
Y4N3(OH)2 | 2.15 | 98.78 | 0.040 |
Y4N3F2 | 2.24 | 98.21 | 0.036 |
Y4N3O2 | 2.29 | 98.46 | 0.040 |
YCrC(NCO)2 | 3.36 | 98.94 | 0.312 |
YCrC(NCS)2 | 9.91 | 99.81 | 51.767 |
YCrC(OCN)2 | 3.68 | 98.99 | 0.361 |
YCrC(OH)2 | 2.52 | 98.53 | 0.094 |
YCrCBr2 | 4.38 | 99.15 | 0.705 |
YCrCCl2 | 3.52 | 98.83 | 0.370 |
YCrCF2 | 1.94 | 97.85 | 0.039 |
YHfN(SCN)2 | 4.53 | 99.38 | 0.922 |
YHfNO2 | 1.97 | 97.85 | 0.023 |
YMoN(NO)2 | 1.89 | 97.43 | 0.021 |
YNbCO2 | 1.80 | 97.84 | 0.034 |
YTaCO2 | 1.88 | 97.84 | 0.000 |
YTiN(NO)2 | 1.95 | 97.76 | 0.035 |
YTiNO2 | 1.94 | 97.84 | 0.033 |
YVCO2 | 1.83 | 97.75 | 0.036 |
YVNF2 | 1.85 | 97.77 | 0.030 |
YZrNO2 | 2.12 | 97.91 | 0.032 |
Zr2C | 1.27 | 96.51 | 0.012 |
Zr2C(OH)2 | 2.00 | 98.43 | 0.045 |
Zr2CF2 | 1.78 | 97.47 | 0.019 |
Zr2CF2-(model2) | 1.99 | 97.56 | 0.026 |
Zr2CF2-(model3) | 1.69 | 97.56 | 0.030 |
Zr2CO2 | 2.01 | 97.78 | 0.038 |
Zr2CrCN | 2.37 | 98.03 | 0.056 |
Zr2CrCNO2 | 3.08 | 98.76 | 0.128 |
Zr2HfCN | 2.10 | 97.84 | 0.027 |
Zr2HfCNO2 | 3.09 | 98.80 | 0.084 |
Zr2MoCN | 2.25 | 97.99 | 0.041 |
Zr2MoCNO2 | 3.03 | 98.80 | 0.103 |
Zr2N | 1.42 | 96.71 | 0.014 |
Zr2N(OH)2 | 2.14 | 98.40 | 0.043 |
Zr2NbCN | 2.18 | 98.00 | 0.041 |
Zr2NbCNO2 | 2.86 | 98.85 | 0.107 |
Zr2NF2 | 1.53 | 97.38 | 0.016 |
Zr2NF2-(model2) | 1.77 | 97.61 | 0.029 |
Zr2NF2-(model4) | 1.93 | 97.63 | 0.024 |
Zr2NO2 | 1.90 | 97.68 | 0.027 |
Zr2TaCN | 2.16 | 97.99 | 0.001 |
Zr2TaCNO2 | 2.81 | 98.84 | 0.002 |
Zr2TiCN | 2.17 | 97.99 | 0.052 |
Zr2TiCNO2 | 3.07 | 98.77 | 0.125 |
Zr2VCN | 2.20 | 97.99 | 0.050 |
Zr2VCNO2 | 3.06 | 98.76 | 0.118 |
Zr3C2 | 1.83 | 97.66 | 0.024 |
Zr3C2(OH)2 | 2.75 | 99.30 | 0.176 |
Zr3C2F2 | 2.24 | 98.28 | 0.031 |
Zr3C2H2 | 1.67 | 98.55 | 0.018 |
Zr3C2O2 | 2.69 | 98.70 | 0.083 |
Zr3CN | 1.98 | 98.09 | 0.037 |
Zr3CNO2 | 3.04 | 98.77 | 0.124 |
Zr3N2(OH)3 | 2.68 | 99.34 | 0.210 |
Zr3N2 | 1.64 | 97.45 | 0.014 |
Zr3N2F2 | 1.86 | 98.53 | 0.024 |
Zr3N2H2 | 1.71 | 98.59 | 0.021 |
Zr3N2O2 | 2.42 | 98.59 | 0.057 |
Zr4C3 | 1.85 | 97.74 | 0.023 |
Zr4C3(OH)2 | 1.93 | 99.09 | 0.043 |
Zr4C3F2 | 1.85 | 97.24 | 0.028 |
Zr4C3H2 | 2.51 | 98.69 | 0.050 |
Zr4C3O2 | 2.73 | 98.57 | 0.064 |
Zr4N3 | 1.70 | 97.29 | 0.012 |
Zr4N3(OH)2 | 1.97 | 99.12 | 0.042 |
Zr4N3F2 | 2.03 | 98.09 | 0.018 |
Zr4N3O2 | 2.52 | 98.37 | 0.039 |
ZrCrNO2 | 1.97 | 97.80 | 0.033 |
ZrHfCO2 | 1.94 | 97.84 | 0.021 |
ZrMoCO2 | 1.71 | 97.41 | 0.018 |