ASE database

ID Formula Calculator Charge str_E Maximum stress Volume
501 Cu72P vasp 0.000 -258.140 0.009 2163.104
502 Cu72S vasp 0.000 -257.602 0.008 2163.104
503 Cu72Cl vasp 0.000 -255.817 0.009 2163.104
504 Cu72Ar vasp 0.000 -252.163 0.009 2163.104
505 Cu72H vasp 0.000 -255.116 0.009 2163.104
506 Cu72He vasp 0.000 -252.122 0.010 2163.104
507 Cu72Li vasp 0.000 -254.178 0.010 2163.104
508 BeCu72 vasp 0.000 -253.474 0.009 2163.104
509 Cu72B vasp 0.000 -255.137 0.010 2163.104
510 Cu72C vasp 0.000 -256.266 0.010 2163.104
511 Cu72N vasp 0.000 -256.842 0.010 2163.104
512 Cu72O vasp 0.000 -257.085 0.009 2163.104
513 Cu72F vasp 0.000 -256.591 0.009 2163.104
514 Cu72Ne vasp 0.000 -252.138 0.010 2163.104
515 Cu72Na vasp 0.000 -253.859 0.010 2163.104
516 Cu72Mg vasp 0.000 -253.063 0.009 2163.104
517 AlCu72 vasp 0.000 -254.732 0.010 2163.104
518 Cu72Si vasp 0.000 -255.804 0.010 2163.104
519 Cu72P vasp 0.000 -256.307 0.010 2163.104
520 Cu72S vasp 0.000 -256.293 0.009 2163.104
521 Cu72Cl vasp 0.000 -255.574 0.009 2163.104
522 Cu72Ar vasp 0.000 -252.148 0.010 2163.104
523 Cu54H vasp 0.000 -196.524 0.007 1730.483
524 Cu54He vasp 0.000 -192.846 0.007 1730.483
525 Cu54Li vasp 0.000 -195.478 0.008 1730.483