ASE database

Displaying rows 1-25 out of 31
↓ ID ✕ Formula ✕ Number of atoms ✕ Energy ✕ Volume ✕ Magnetic moment ✕ PBC ✕
1 Cu48N 49 -193.568 1271.601 -0.000 TTT
2 Cu48N 49 -191.730 1271.601 0.000 TTT
3 Cu48N 49 -193.479 1271.601 0.000 TTT
4 Cu48F 49 -190.260 1271.601 -0.000 TTT
5 Cu48F 49 -191.257 1271.601 0.000 TTT
6 Cu48F 49 -191.759 1271.601 0.000 TTT
7 Cu48O 49 -192.145 1271.601 0.000 TTT
8 Cu48O 49 -191.780 1271.601 -0.000 TTT
9 Cu48O 49 -193.280 1271.601 -0.000 TTT
10 Cu48B 49 -191.803 1271.601 -0.000 TTT
11 Cu48B 49 -190.274 1271.601 -0.000 TTT
12 Cu48B 49 -191.672 1271.601 0.000 TTT
13 Cu48C 49 -193.425 1271.601 0.000 TTT
14 Cu48C 49 -191.291 1271.601 0.000 TTT
15 Cu48C 49 -193.011 1271.601 0.000 TTT
16 Cu48N 49 -185.090 1599.670 -0.000 TTT
17 Cu48N 49 -185.935 1599.670 -0.000 TTT
18 Cu48N 49 -183.344 1599.670 0.007 TTT
19 Cu48N 49 -185.087 1599.670 0.000 TTT
20 Cu48F 49 -182.123 1599.670 -0.000 TTT
21 Cu48F 49 -183.516 1599.670 0.000 TTT
22 Cu48F 49 -183.493 1599.670 0.000 TTT
23 Cu48F 49 -183.214 1599.670 -0.000 TTT
24 Cu48O 49 -184.198 1599.670 -0.000 TTT
25 Cu48O 49 -184.799 1599.670 0.000 TTT