| ↓ ID ✕ | Formula ✕ | no_equ_23 ✕ | atom_E ✕ | Username ✕ | slab_E ✕ | Age ✕ | PBC ✕ |
|---|---|---|---|---|---|---|---|
| 1 | Cu54Li | - | -0.299 | hecc | -190.592 | 15M | TTT |
| 2 | BeCu54 | - | -0.039 | hecc | -190.592 | 15M | TTT |
| 3 | Cu54B | - | -0.349 | hecc | -190.592 | 15M | TTT |
| 4 | Cu54C | - | -1.248 | hecc | -190.592 | 15M | TTT |
| 5 | Cu54N | - | -3.124 | hecc | -190.592 | 15M | TTT |
| 6 | Cu54O | - | -1.533 | hecc | -190.592 | 15M | TTT |
| 7 | Cu54F | - | -0.424 | hecc | -190.592 | 15M | TTT |
| 8 | Cu54Ar | ratio:1.34,dipole:0.001,distance:8.158,ads_E:-0.005 | -0.025 | hecc | -190.592 | 15M | TTT |