ASE database

Displaying rows 1-25 out of 46
↓ ID ✕ Formula ✕ delta_charge_bader ✕ Number of atoms ✕
1 Cu48N 1.087 49
2 Cu48N 0.639 49
3 Cu48N 0.756 49
4 Cu48F 0.713 49
5 Cu48F 0.647 49
6 Cu48F 0.690 49
7 Cu48O 1.050 49
8 Cu48O 0.713 49
9 Cu48O 0.866 49
10 Cu48B 0.264 49
11 Cu48B 0.039 49
12 Cu48B 0.021 49
13 Cu48C 0.871 49
14 Cu48C 0.435 49
15 Cu48C 0.508 49
16 Cu48N 1.121 49
17 Cu48N 0.985 49
18 Cu48N 0.623 49
19 Cu48N 1.111 49
20 Cu48F 0.736 49
21 Cu48F 0.697 49
22 Cu48F 0.695 49
23 Cu48F 0.637 49
24 Cu48O 1.008 49
25 Cu48O 0.864 49