Cu元素摩尔含量 | 基态总能量eV | 生成热kJ/mol |
0 | −285.1 | 6832 |
0.5 | −329.4 | −1696 |
1 | −370.6 | −2991 |
1.5 | −406.9 | −7092 |
2 | −440.4 | −10,821 |
3 | −498.7 | −17,329 |