↓ ID ✕ | Formula ✕ | Energy ✕ | symmetry_op_number ✕ | gap ✕ |
---|---|---|---|---|
1 | BC58N | -527.448 | 1 | 1.145 |
2 | BC58N | -527.502 | 1 | 1.353 |
3 | BC58N | -528.287 | 1 | 1.109 |
4 | BC58N | -528.667 | 2 | 1.464 |
5 | BC58N | -527.428 | 1 | 1.122 |
6 | BC58N | -527.178 | 1 | 0.962 |
7 | BC58N | -527.244 | 1 | 0.903 |
8 | BC58N | -527.274 | 1 | 0.973 |
9 | BC58N | -527.248 | 1 | 0.863 |
10 | BC58N | -527.329 | 1 | 0.962 |
11 | BC58N | -527.099 | 1 | 0.744 |
12 | BC58N | -527.015 | 1 | 0.697 |
13 | BC58N | -527.133 | 1 | 0.848 |
14 | BC58N | -527.167 | 1 | 0.875 |
15 | BC58N | -526.968 | 1 | 0.602 |
16 | BC58N | -527.191 | 1 | 0.877 |
17 | BC58N | -527.246 | 1 | 1.030 |
18 | BC58N | -527.002 | 1 | 0.751 |
19 | BC58N | -527.048 | 1 | 0.739 |
20 | BC58N | -526.957 | 1 | 0.634 |
21 | BC58N | -527.048 | 1 | 0.749 |
22 | BC58N | -526.981 | 1 | 0.695 |
23 | BC58N | -526.933 | 1 | 0.587 |
24 | BC58N | -527.088 | 1 | 0.925 |
25 | BC58N | -526.905 | 1 | 0.610 |