ASE database

Displaying rows 576-594 out of 594
↓ ID ✕ Formula ✕ Username ✕ Dipole_val ✕ slab_E ✕ ads_E ✕ Magnetic moment ✕ Charge ✕ str_E ✕ Calculator ✕
576 Cu54Ar hecc -0.041 -192.845 -0.009 -0.000 0.000 -192.880 vasp
577 Cu54H hecc 0.281 -192.845 -1.923 -0.000 0.000 -195.885 vasp
578 Cu54He hecc -0.019 -192.845 -0.003 0.000 0.000 -192.846 vasp
579 Cu54Li hecc -3.579 -192.845 -2.222 -0.000 0.000 -195.366 vasp
580 BeCu54 hecc -0.919 -192.845 -1.956 0.000 0.000 -194.841 vasp
581 Cu54B hecc 0.323 -192.845 -3.063 0.000 0.000 -196.257 vasp
582 Cu54C hecc 0.960 -192.845 -3.219 -0.000 0.000 -197.311 vasp
583 Cu54N hecc 1.474 -192.845 -1.739 0.005 0.000 -197.708 vasp
584 Cu54O hecc 1.815 -192.845 -3.329 0.000 0.000 -197.707 vasp
585 Cu54F hecc 1.950 -192.845 -3.771 0.000 0.000 -197.040 vasp
586 Cu54Ne hecc -0.016 -192.845 -0.007 -0.000 0.000 -192.865 vasp
587 Cu54Na hecc -4.587 -192.845 -1.898 0.000 0.000 -194.968 vasp
588 Cu54Mg hecc -2.541 -192.845 -1.504 0.000 0.000 -194.352 vasp
589 AlCu54 hecc -0.969 -192.845 -2.799 -0.000 0.000 -195.938 vasp
590 Cu54Si hecc 0.022 -192.845 -3.467 -0.000 0.000 -197.142 vasp
591 Cu54P hecc 0.571 -192.845 -2.813 -0.000 0.000 -197.546 vasp
592 Cu54S hecc 1.109 -192.845 -3.363 -0.000 0.000 -197.153 vasp
593 Cu54Cl hecc 1.499 -192.845 -2.991 -0.000 0.000 -196.079 vasp
594 Cu54Ar hecc -0.070 -192.845 -0.007 -0.000 0.000 -192.878 vasp