| ↓ ID ✕ | Formula ✕ | Calculator ✕ | no_equ_22 ✕ | ads_E ✕ |
|---|---|---|---|---|
| 1 | Cu54Li | vasp | - | -2.222 |
| 2 | BeCu54 | vasp | - | -2.934 |
| 3 | Cu54B | vasp | - | -5.472 |
| 4 | Cu54C | vasp | - | -6.254 |
| 5 | Cu54N | vasp | - | -4.599 |
| 6 | Cu54O | vasp | - | -5.385 |
| 7 | Cu54F | vasp | - | -4.264 |
| 8 | Cu54Ar | vasp | ratio:1.32,dipole:0.002,distance:7.887,ads_E:-0.005 | 0.020 |