| ↓ ID ✕ | Formula ✕ | str_E ✕ | no_equ_28 ✕ | PBC ✕ |
|---|---|---|---|---|
| 1 | Cu54Li | -193.113 | - | TTT |
| 2 | BeCu54 | -193.566 | - | TTT |
| 3 | Cu54B | -196.413 | - | TTT |
| 4 | Cu54C | -198.094 | - | TTT |
| 5 | Cu54N | -198.315 | - | TTT |
| 6 | Cu54O | -197.510 | - | TTT |
| 7 | Cu54F | -195.280 | - | TTT |
| 8 | Cu54Ar | -190.598 | ratio:1.44,dipole:0.000,distance:9.515,ads_E:-0.005 | TTT |