ASE database

Displaying rows 576-594 out of 594
↓ ID ✕ Formula ✕ Charge ✕ Magnetic moment ✕ slab_E ✕ Energy ✕ distance ✕ PBC ✕ Maximum stress ✕ Dipole_val ✕
576 Cu54Ar 0.000 -0.000 -192.845 -192.880 4.003 TTT 0.007 -0.041
577 Cu54H 0.000 -0.000 -192.845 -195.885 1.519 TTT 0.007 0.281
578 Cu54He 0.000 0.000 -192.845 -192.846 3.707 TTT 0.007 -0.019
579 Cu54Li 0.000 -0.000 -192.845 -195.366 2.080 TTT 0.008 -3.579
580 BeCu54 0.000 0.000 -192.845 -194.841 1.533 TTT 0.008 -0.919
581 Cu54B 0.000 0.000 -192.845 -196.257 1.497 TTT 0.007 0.323
582 Cu54C 0.000 -0.000 -192.845 -197.311 1.476 TTT 0.008 0.960
583 Cu54N 0.000 0.005 -192.845 -197.708 1.581 TTT 0.007 1.474
584 Cu54O 0.000 0.000 -192.845 -197.707 1.643 TTT 0.007 1.815
585 Cu54F 0.000 0.000 -192.845 -197.040 1.854 TTT 0.006 1.950
586 Cu54Ne 0.000 -0.000 -192.845 -192.865 3.559 TTT 0.007 -0.016
587 Cu54Na 0.000 0.000 -192.845 -194.968 2.403 TTT 0.008 -4.587
588 Cu54Mg 0.000 0.000 -192.845 -194.352 2.052 TTT 0.008 -2.541
589 AlCu54 0.000 -0.000 -192.845 -195.938 1.947 TTT 0.007 -0.969
590 Cu54Si 0.000 -0.000 -192.845 -197.142 1.736 TTT 0.008 0.022
591 Cu54P 0.000 -0.000 -192.845 -197.546 1.610 TTT 0.008 0.571
592 Cu54S 0.000 -0.000 -192.845 -197.153 1.800 TTT 0.008 1.109
593 Cu54Cl 0.000 -0.000 -192.845 -196.079 2.184 TTT 0.006 1.499
594 Cu54Ar 0.000 -0.000 -192.845 -192.878 3.846 TTT 0.007 -0.070