ASE database

Displaying rows 1-31 out of 31
↓ ID ✕ Formula ✕ Charge ✕ Energy ✕ Number of atoms ✕ absorption_structural_energy ✕
1 Cu48N 0.000 -193.568 49 -193.568
2 Cu48N 0.000 -191.730 49 -191.730
3 Cu48N 0.000 -193.479 49 -193.479
4 Cu48F 0.000 -190.260 49 -190.260
5 Cu48F 0.000 -191.257 49 -191.257
6 Cu48F 0.000 -191.759 49 -191.759
7 Cu48O 0.000 -192.145 49 -192.145
8 Cu48O 0.000 -191.780 49 -191.780
9 Cu48O 0.000 -193.280 49 -193.280
10 Cu48B 0.000 -191.803 49 -191.803
11 Cu48B 0.000 -190.274 49 -190.274
12 Cu48B 0.000 -191.672 49 -191.672
13 Cu48C 0.000 -193.425 49 -193.425
14 Cu48C 0.000 -191.291 49 -191.291
15 Cu48C 0.000 -193.011 49 -193.011
16 Cu48N 0.000 -185.090 49 -185.090
17 Cu48N 0.000 -185.935 49 -185.935
18 Cu48N 0.000 -183.344 49 -183.344
19 Cu48N 0.000 -185.087 49 -185.087
20 Cu48F 0.000 -182.123 49 -182.123
21 Cu48F 0.000 -183.516 49 -183.516
22 Cu48F 0.000 -183.493 49 -183.493
23 Cu48F 0.000 -183.214 49 -183.214
24 Cu48O 0.000 -184.198 49 -184.198
25 Cu48O 0.000 -184.799 49 -184.799
26 Cu48O 0.000 -184.995 49 -184.995
27 Cu48O 0.000 -183.695 49 -183.695
28 Cu48O 0.000 -184.341 49 -184.341
29 Cu48B 0.000 -183.727 49 -183.727
30 Cu48B 0.000 -183.365 49 -183.365
31 Cu48B 0.000 -184.351 49 -184.351
32 Cu48B 0.000 -181.919 49 -181.919
33 Cu48C 0.000 -185.004 49 -185.004
34 Cu48C 0.000 -185.714 49 -185.714
35 Cu48C 0.000 -182.929 49 -182.929
36 Cu48N 0.000 -195.809 49 -195.809
37 Cu48N 0.000 -195.876 49 -195.876
38 Cu48F 0.000 -193.454 49 -193.454
39 Cu48F 0.000 -193.476 49 -193.476
40 Cu48F 0.000 -193.032 49 -193.032
41 Cu48O 0.000 -195.376 49 -195.376
42 Cu48O 0.000 -195.476 49 -195.476
43 Cu48B 0.000 -193.439 49 -193.439
44 Cu48B 0.000 -193.715 49 -193.715
45 Cu48C 0.000 -194.800 49 -194.800
46 Cu48C 0.000 -195.283 49 -195.283