ASE database

Displaying rows 1-25 out of 46
↓ ID ✕ Formula ✕ adsorption_atomic_energy ✕ delta_charge_hirf ✕
1 Cu48N -3.124 2.274
2 Cu48N -3.124 0.939
3 Cu48N -3.124 1.110
4 Cu48F -0.424 0.793
5 Cu48F -0.424 0.656
6 Cu48F -0.424 0.661
7 Cu48O -1.532 1.406
8 Cu48O -1.532 0.848
9 Cu48O -1.532 0.969
10 Cu48B -0.276 3.323
11 Cu48B -0.276 0.664
12 Cu48B -0.276 1.150
13 Cu48C -1.247 3.163
14 Cu48C -1.247 0.917
15 Cu48C -1.247 1.159
16 Cu48N -3.124 2.005
17 Cu48N -3.124 1.942
18 Cu48N -3.124 0.749
19 Cu48N -3.124 2.010
20 Cu48F -0.424 0.729
21 Cu48F -0.424 0.651
22 Cu48F -0.424 0.578
23 Cu48F -0.424 0.637
24 Cu48O -1.532 1.288
25 Cu48O -1.532 0.950