ASE database

Displaying rows 551-8 out of 8
↓ ID ✕ Formula ✕ Dipole_val ✕ PBC ✕ distance ✕ Maximum stress ✕ Magnetic moment ✕ Username ✕ str_E ✕
551 Cu54Na -4.502 TTT 2.376 0.008 -0.000 hecc -195.024
552 Cu54Mg -2.595 TTT 2.025 0.007 -0.000 hecc -194.556
553 AlCu54 -1.006 TTT 1.820 0.007 0.000 hecc -196.324
554 Cu54Si 0.043 TTT 1.670 0.006 0.000 hecc -197.777
555 Cu54P 0.624 TTT 1.593 0.006 0.000 hecc -198.547
556 Cu54S 0.764 TTT 1.602 0.006 0.000 hecc -198.308
557 Cu54Cl 0.388 TTT 1.841 0.006 -0.000 hecc -196.481
558 Cu54Ar -0.053 TTT 3.920 0.007 0.000 hecc -192.878
559 Cu54H 0.014 TTT 0.916 0.007 -0.000 hecc -196.523
560 Cu54He -0.017 TTT 3.776 0.007 0.000 hecc -192.846
561 Cu54Li -3.370 TTT 2.025 0.008 0.000 hecc -195.466
562 BeCu54 -0.736 TTT 1.308 0.008 -0.000 hecc -195.474
563 Cu54B 0.322 TTT 0.834 0.008 0.000 hecc -197.691
564 Cu54C 0.460 TTT 0.665 0.008 0.000 hecc -199.256
565 Cu54N 0.716 TTT 0.958 0.005 -0.000 hecc -199.896
566 Cu54O 0.781 TTT 1.073 0.005 -0.000 hecc -199.469
567 Cu54F 0.687 TTT 1.409 0.006 0.000 hecc -197.505
568 Cu54Ne -0.008 TTT 3.657 0.007 0.000 hecc -192.866
569 Cu54Na -4.513 TTT 2.384 0.008 -0.000 hecc -195.018
570 Cu54Mg -2.577 TTT 1.991 0.008 0.000 hecc -194.540
571 AlCu54 -0.999 TTT 1.820 0.007 0.000 hecc -196.341
572 Cu54Si 0.034 TTT 1.654 0.006 -0.000 hecc -197.812
573 Cu54P 0.602 TTT 1.585 0.006 -0.000 hecc -198.588
574 Cu54S 0.738 TTT 1.587 0.005 -0.000 hecc -198.347
575 Cu54Cl 0.581 TTT 1.895 0.006 0.000 hecc -196.406