ASE database

Displaying rows 526-8 out of 8
↓ ID ✕ Formula ✕ Dipole_val ✕ str_E ✕ Calculator ✕ Mass ✕ Maximum stress ✕ Username ✕ Energy ✕
526 BeCu54 -0.793 -195.504 vasp 3440.496 0.008 hecc -195.504
527 Cu54B 0.375 -197.683 vasp 3442.294 0.006 hecc -197.683
528 Cu54C 0.645 -199.306 vasp 3443.495 0.006 hecc -199.306
529 Cu54N 0.716 -199.897 vasp 3445.491 0.005 hecc -199.897
530 Cu54O 0.779 -199.470 vasp 3447.483 0.005 hecc -199.470
531 Cu54F 0.691 -197.506 vasp 3450.482 0.006 hecc -197.506
532 Cu54Ne -0.008 -192.866 vasp 3451.664 0.007 hecc -192.866
533 Cu54Na -4.509 -195.024 vasp 3454.474 0.008 hecc -195.024
534 Cu54Mg -2.586 -194.558 vasp 3455.789 0.007 hecc -194.558
535 AlCu54 -0.999 -196.341 vasp 3458.466 0.007 hecc -196.341
536 Cu54Si 0.033 -197.812 vasp 3459.569 0.006 hecc -197.812
537 Cu54P 0.599 -198.589 vasp 3462.458 0.006 hecc -198.589
538 Cu54S 0.730 -198.348 vasp 3463.544 0.006 hecc -198.348
539 Cu54Cl 0.342 -196.487 vasp 3466.934 0.006 hecc -196.487
540 Cu54Ar -0.060 -192.878 vasp 3471.432 0.007 hecc -192.878
541 Cu54H 0.018 -196.520 vasp 3432.492 0.007 hecc -196.520
542 Cu54He -0.018 -192.846 vasp 3435.487 0.007 hecc -192.846
543 Cu54Li -3.363 -195.476 vasp 3438.424 0.008 hecc -195.476
544 BeCu54 -0.802 -195.497 vasp 3440.496 0.007 hecc -195.497
545 Cu54B 0.352 -197.667 vasp 3442.294 0.006 hecc -197.667
546 Cu54C 0.620 -199.261 vasp 3443.495 0.005 hecc -199.261
547 Cu54N 0.718 -199.816 vasp 3445.491 0.005 hecc -199.816
548 Cu54O 0.820 -199.380 vasp 3447.483 0.006 hecc -199.380
549 Cu54F 0.747 -197.474 vasp 3450.482 0.006 hecc -197.474
550 Cu54Ne -0.010 -192.866 vasp 3451.664 0.007 hecc -192.866