ASE database

ID Formula Maximum stress ads_E Calculator ads_site Energy plane_index
476 Cu72O 0.008 -4.736 vasp 3b -258.362 110
477 Cu72F 0.009 -4.529 vasp 3b -257.047 110
478 Cu72Ne 0.009 -0.045 vasp 3b -252.152 110
479 Cu72Na 0.009 -1.591 vasp 3b -253.910 110
480 Cu72Mg 0.009 -1.126 vasp 3b -253.224 110
481 AlCu72 0.009 -2.578 vasp 3b -254.967 110
482 Cu72Si 0.008 -3.371 vasp 3b -256.295 110
483 Cu72P 0.008 -3.109 vasp 3b -257.091 110
484 Cu72S 0.008 -4.158 vasp 3b -257.197 110
485 Cu72Cl 0.008 -3.657 vasp 3b -255.994 110
486 Cu72Ar 0.010 -0.038 vasp 3b -252.157 110
487 Cu72H 0.009 -2.401 vasp 1b -255.612 110
488 Cu72He 0.009 -0.043 vasp 1b -252.135 110
489 Cu72Li 0.009 -2.330 vasp 1b -254.723 110
490 BeCu72 0.009 -3.075 vasp 1b -255.208 110
491 Cu72B 0.008 -5.048 vasp 1b -257.491 110
492 Cu72C 0.008 -5.556 vasp 1b -258.897 110
493 Cu72N 0.008 -3.937 vasp 1b -259.155 110
494 Cu72O 0.008 -4.906 vasp 1b -258.532 110
495 Cu72F 0.008 -4.275 vasp 1b -256.793 110
496 Cu72Ne 0.009 -0.046 vasp 1b -252.153 110
497 Cu72Na 0.009 -1.908 vasp 1b -254.227 110
498 Cu72Mg 0.009 -1.829 vasp 1b -253.927 110
499 AlCu72 0.009 -3.511 vasp 1b -255.900 110
500 Cu72Si 0.009 -4.557 vasp 1b -257.481 110