| 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 |