ASE database

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