ASE database

ID Formula Dipole_val ads_E slab_E Username
476 Cu72O 1.890 -4.736 -252.094 hecc
477 Cu72F 1.591 -4.529 -252.094 hecc
478 Cu72Ne -0.016 -0.045 -252.094 hecc
479 Cu72Na -5.565 -1.591 -252.094 hecc
480 Cu72Mg -2.698 -1.126 -252.094 hecc
481 AlCu72 -0.852 -2.578 -252.094 hecc
482 Cu72Si 0.401 -3.371 -252.094 hecc
483 Cu72P 1.385 -3.109 -252.094 hecc
484 Cu72S 1.900 -4.158 -252.094 hecc
485 Cu72Cl 1.457 -3.657 -252.094 hecc
486 Cu72Ar -0.147 -0.038 -252.094 hecc
487 Cu72H -0.111 -2.401 -252.094 hecc
488 Cu72He -0.015 -0.043 -252.094 hecc
489 Cu72Li -2.438 -2.330 -252.094 hecc
490 BeCu72 -0.095 -3.075 -252.094 hecc
491 Cu72B 0.372 -5.048 -252.094 hecc
492 Cu72C 0.376 -5.556 -252.094 hecc
493 Cu72N 0.377 -3.937 -252.094 hecc
494 Cu72O 0.408 -4.906 -252.094 hecc
495 Cu72F 1.134 -4.275 -252.094 hecc
496 Cu72Ne -0.006 -0.046 -252.094 hecc
497 Cu72Na -4.075 -1.908 -252.094 hecc
498 Cu72Mg -1.810 -1.829 -252.094 hecc
499 AlCu72 -0.206 -3.511 -252.094 hecc
500 Cu72Si 0.444 -4.557 -252.094 hecc