ASE database

Displaying rows 551-8 out of 8
↓ ID ✕ Formula ✕ Username ✕ PBC ✕ Mass ✕ Energy ✕ Dipole_val ✕ str_E ✕
551 Cu54Na hecc TTT 3454.474 -195.024 -4.502 -195.024
552 Cu54Mg hecc TTT 3455.789 -194.556 -2.595 -194.556
553 AlCu54 hecc TTT 3458.466 -196.324 -1.006 -196.324
554 Cu54Si hecc TTT 3459.569 -197.777 0.043 -197.777
555 Cu54P hecc TTT 3462.458 -198.547 0.624 -198.547
556 Cu54S hecc TTT 3463.544 -198.308 0.764 -198.308
557 Cu54Cl hecc TTT 3466.934 -196.481 0.388 -196.481
558 Cu54Ar hecc TTT 3471.432 -192.878 -0.053 -192.878
559 Cu54H hecc TTT 3432.492 -196.523 0.014 -196.523
560 Cu54He hecc TTT 3435.487 -192.846 -0.017 -192.846
561 Cu54Li hecc TTT 3438.424 -195.466 -3.370 -195.466
562 BeCu54 hecc TTT 3440.496 -195.474 -0.736 -195.474
563 Cu54B hecc TTT 3442.294 -197.691 0.322 -197.691
564 Cu54C hecc TTT 3443.495 -199.256 0.460 -199.256
565 Cu54N hecc TTT 3445.491 -199.896 0.716 -199.896
566 Cu54O hecc TTT 3447.483 -199.469 0.781 -199.469
567 Cu54F hecc TTT 3450.482 -197.505 0.687 -197.505
568 Cu54Ne hecc TTT 3451.664 -192.866 -0.008 -192.866
569 Cu54Na hecc TTT 3454.474 -195.018 -4.513 -195.018
570 Cu54Mg hecc TTT 3455.789 -194.540 -2.577 -194.540
571 AlCu54 hecc TTT 3458.466 -196.341 -0.999 -196.341
572 Cu54Si hecc TTT 3459.569 -197.812 0.034 -197.812
573 Cu54P hecc TTT 3462.458 -198.588 0.602 -198.588
574 Cu54S hecc TTT 3463.544 -198.347 0.738 -198.347
575 Cu54Cl hecc TTT 3466.934 -196.406 0.581 -196.406