Ti元素摩尔含量 | 基态总能量eV | 生成热kJ/mol |
0 | −448 | −5752 |
0.5 | −405.2 | −4191 |
1 | −370.6 | −2991 |
1.5 | −343.2 | −2109 |
2 | −320.4 | −1412 |
3 | −284.8 | −601 |