ASE database

Displaying rows 1-25 out of 46
↓ ID ✕ Formula ✕ layer_distance ✕ Charge ✕ Calculator ✕ dipole_bader ✕ Energy ✕
1 Cu48N 2.239 0.000 vasp 11.688 -193.568
2 Cu48N 1.705 0.000 vasp 5.234 -191.730
3 Cu48N 1.083 0.000 vasp 3.934 -193.479
4 Cu48F 1.238 0.000 vasp 4.239 -190.260
5 Cu48F 1.842 0.000 vasp 5.723 -191.257
6 Cu48F 1.430 0.000 vasp 4.743 -191.759
7 Cu48O 2.705 0.000 vasp 13.640 -192.145
8 Cu48O 1.726 0.000 vasp 5.913 -191.780
9 Cu48O 1.183 0.000 vasp 4.922 -193.280
10 Cu48B 2.191 0.000 vasp 2.777 -191.803
11 Cu48B 1.835 0.000 vasp 0.344 -190.274
12 Cu48B 0.835 0.000 vasp 0.084 -191.672
13 Cu48C 2.120 0.000 vasp 8.869 -193.425
14 Cu48C 1.740 0.000 vasp 3.636 -191.291
15 Cu48C 0.946 0.000 vasp 2.308 -193.011
16 Cu48N 1.973 0.000 vasp 10.621 -185.090
17 Cu48N 1.416 0.000 vasp 6.703 -185.935
18 Cu48N 1.682 0.000 vasp 5.033 -183.344
19 Cu48N 1.974 0.000 vasp 10.534 -185.087
20 Cu48F 2.379 0.000 vasp 8.409 -182.123
21 Cu48F 1.457 0.000 vasp 4.877 -183.516
22 Cu48F 1.193 0.000 vasp 3.985 -183.493
23 Cu48F 1.825 0.000 vasp 5.585 -183.214
24 Cu48O 2.048 0.000 vasp 9.915 -184.198
25 Cu48O 1.177 0.000 vasp 4.885 -184.799