ASE database

ID Formula Dipole_val ads_E Maximum stress Volume
476 Cu72O 1.890 -4.736 0.008 2163.104
477 Cu72F 1.591 -4.529 0.009 2163.104
478 Cu72Ne -0.016 -0.045 0.009 2163.104
479 Cu72Na -5.565 -1.591 0.009 2163.104
480 Cu72Mg -2.698 -1.126 0.009 2163.104
481 AlCu72 -0.852 -2.578 0.009 2163.104
482 Cu72Si 0.401 -3.371 0.008 2163.104
483 Cu72P 1.385 -3.109 0.008 2163.104
484 Cu72S 1.900 -4.158 0.008 2163.104
485 Cu72Cl 1.457 -3.657 0.008 2163.104
486 Cu72Ar -0.147 -0.038 0.010 2163.104
487 Cu72H -0.111 -2.401 0.009 2163.104
488 Cu72He -0.015 -0.043 0.009 2163.104
489 Cu72Li -2.438 -2.330 0.009 2163.104
490 BeCu72 -0.095 -3.075 0.009 2163.104
491 Cu72B 0.372 -5.048 0.008 2163.104
492 Cu72C 0.376 -5.556 0.008 2163.104
493 Cu72N 0.377 -3.937 0.008 2163.104
494 Cu72O 0.408 -4.906 0.008 2163.104
495 Cu72F 1.134 -4.275 0.008 2163.104
496 Cu72Ne -0.006 -0.046 0.009 2163.104
497 Cu72Na -4.075 -1.908 0.009 2163.104
498 Cu72Mg -1.810 -1.829 0.009 2163.104
499 AlCu72 -0.206 -3.511 0.009 2163.104
500 Cu72Si 0.444 -4.557 0.009 2163.104