ASE database

Displaying rows 1-25 out of 127
↓ ID ✕ Formula ✕ PBC ✕ Volume ✕ Username ✕ Maximum force ✕ layer_distance ✕ dipole_hirf ✕ delta_charge_hirf ✕
1 Cu48N TTT 1271.601 hecc 0.391 2.239 24.451 2.274
2 Cu48N TTT 1271.601 hecc 0.309 1.705 7.691 0.939
3 Cu48N TTT 1271.601 hecc 0.369 1.083 5.776 1.110
4 Cu48F TTT 1271.601 hecc 0.398 1.238 4.716 0.793
5 Cu48F TTT 1271.601 hecc 0.336 1.842 5.803 0.656
6 Cu48F TTT 1271.601 hecc 0.393 1.430 4.541 0.661
7 Cu48O TTT 1271.601 hecc 0.409 2.705 18.264 1.406
8 Cu48O TTT 1271.601 hecc 0.320 1.726 7.029 0.848
9 Cu48O TTT 1271.601 hecc 0.385 1.183 5.507 0.969
10 Cu48B TTT 1271.601 hecc 0.383 2.191 34.959 3.323
11 Cu48B TTT 1271.601 hecc 0.331 1.835 5.851 0.664
12 Cu48B TTT 1271.601 hecc 0.383 0.835 4.611 1.150
13 Cu48C TTT 1271.601 hecc 0.373 2.120 32.207 3.163
14 Cu48C TTT 1271.601 hecc 0.314 1.740 7.664 0.917
15 Cu48C TTT 1271.601 hecc 0.372 0.946 5.266 1.159
16 Cu48N TTT 1599.670 hecc 0.616 1.973 19.000 2.005
17 Cu48N TTT 1599.670 hecc 0.490 1.416 13.209 1.942
18 Cu48N TTT 1599.670 hecc 0.530 1.682 6.049 0.749
19 Cu48N TTT 1599.670 hecc 0.617 1.974 19.054 2.010
20 Cu48F TTT 1599.670 hecc 0.576 2.379 8.329 0.729
21 Cu48F TTT 1599.670 hecc 0.496 1.457 4.555 0.651
22 Cu48F TTT 1599.670 hecc 0.505 1.193 3.313 0.578
23 Cu48F TTT 1599.670 hecc 0.490 1.825 5.583 0.637
24 Cu48O TTT 1599.670 hecc 0.595 2.048 12.667 1.288
25 Cu48O TTT 1599.670 hecc 0.499 1.177 5.370 0.950