ASE database

Displaying rows 501-525 out of 594
↓ ID ✕ Formula ✕ Calculator ✕ Charge ✕ Mass ✕ Volume ✕ Username ✕ str_E ✕ Dipole_val ✕ distance ✕
501 Cu72P vasp 0.000 4606.286 2163.104 hecc -258.140 0.631 0.877
502 Cu72S vasp 0.000 4607.372 2163.104 hecc -257.602 0.628 0.983
503 Cu72Cl vasp 0.000 4610.762 2163.104 hecc -255.817 1.060 1.583
504 Cu72Ar vasp 0.000 4615.260 2163.104 hecc -252.163 -0.061 3.561
505 Cu72H vasp 0.000 4576.320 2163.104 hecc -255.116 0.728 1.515
506 Cu72He vasp 0.000 4579.315 2163.104 hecc -252.122 -0.030 3.582
507 Cu72Li vasp 0.000 4582.252 2163.104 hecc -254.178 -4.654 2.095
508 BeCu72 vasp 0.000 4584.324 2163.104 hecc -253.474 -0.984 1.719
509 Cu72B vasp 0.000 4586.122 2163.104 hecc -255.137 0.649 1.699
510 Cu72C vasp 0.000 4587.323 2163.104 hecc -256.266 1.506 1.526
511 Cu72N vasp 0.000 4589.319 2163.104 hecc -256.842 2.125 1.504
512 Cu72O vasp 0.000 4591.311 2163.104 hecc -257.085 2.704 1.636
513 Cu72F vasp 0.000 4594.310 2163.104 hecc -256.591 2.758 1.828
514 Cu72Ne vasp 0.000 4595.492 2163.104 hecc -252.138 -0.029 3.441
515 Cu72Na vasp 0.000 4598.302 2163.104 hecc -253.859 -5.698 2.422
516 Cu72Mg vasp 0.000 4599.617 2163.104 hecc -253.063 -2.721 2.196
517 AlCu72 vasp 0.000 4602.294 2163.104 hecc -254.732 -1.130 2.110
518 Cu72Si vasp 0.000 4603.397 2163.104 hecc -255.804 0.302 1.718
519 Cu72P vasp 0.000 4606.286 2163.104 hecc -256.307 1.317 1.495
520 Cu72S vasp 0.000 4607.372 2163.104 hecc -256.293 2.164 1.748
521 Cu72Cl vasp 0.000 4610.762 2163.104 hecc -255.574 2.539 2.147
522 Cu72Ar vasp 0.000 4615.260 2163.104 hecc -252.148 -0.149 3.547
523 Cu54H vasp 0.000 3432.492 1730.483 hecc -196.524 0.013 0.915
524 Cu54He vasp 0.000 3435.487 1730.483 hecc -192.846 -0.021 3.701
525 Cu54Li vasp 0.000 3438.424 1730.483 hecc -195.478 -3.352 2.029