ASE database

Displaying rows 526-550 out of 594
↓ ID ✕ Formula ✕ Dipole_val ✕ Number of atoms ✕ str_E ✕ Maximum stress ✕
526 BeCu54 -0.793 55 -195.504 0.008
527 Cu54B 0.375 55 -197.683 0.006
528 Cu54C 0.645 55 -199.306 0.006
529 Cu54N 0.716 55 -199.897 0.005
530 Cu54O 0.779 55 -199.470 0.005
531 Cu54F 0.691 55 -197.506 0.006
532 Cu54Ne -0.008 55 -192.866 0.007
533 Cu54Na -4.509 55 -195.024 0.008
534 Cu54Mg -2.586 55 -194.558 0.007
535 AlCu54 -0.999 55 -196.341 0.007
536 Cu54Si 0.033 55 -197.812 0.006
537 Cu54P 0.599 55 -198.589 0.006
538 Cu54S 0.730 55 -198.348 0.006
539 Cu54Cl 0.342 55 -196.487 0.006
540 Cu54Ar -0.060 55 -192.878 0.007
541 Cu54H 0.018 55 -196.520 0.007
542 Cu54He -0.018 55 -192.846 0.007
543 Cu54Li -3.363 55 -195.476 0.008
544 BeCu54 -0.802 55 -195.497 0.007
545 Cu54B 0.352 55 -197.667 0.006
546 Cu54C 0.620 55 -199.261 0.005
547 Cu54N 0.718 55 -199.816 0.005
548 Cu54O 0.820 55 -199.380 0.006
549 Cu54F 0.747 55 -197.474 0.006
550 Cu54Ne -0.010 55 -192.866 0.007