ASE database

Displaying rows 526-8 out of 8
↓ ID ✕ Formula ✕ Dipole_val ✕ Volume ✕ PBC ✕ Charge ✕ ads_E ✕ Energy ✕ ads_site ✕ Number of atoms ✕
526 BeCu54 -0.793 1730.483 TTT 0.000 -2.619 -195.504 2h 55
527 Cu54B 0.375 1730.483 TTT 0.000 -4.490 -197.683 2h 55
528 Cu54C 0.645 1730.483 TTT 0.000 -5.211 -199.306 2h 55
529 Cu54N 0.716 1730.483 TTT 0.000 -3.932 -199.897 2h 55
530 Cu54O 0.779 1730.483 TTT 0.000 -5.095 -199.470 2h 55
531 Cu54F 0.691 1730.483 TTT 0.000 -4.237 -197.506 2h 55
532 Cu54Ne -0.008 1730.483 TTT 0.000 -0.008 -192.866 2h 55
533 Cu54Na -4.509 1730.483 TTT 0.000 -1.954 -195.024 2h 55
534 Cu54Mg -2.586 1730.483 TTT 0.000 -1.709 -194.558 2h 55
535 AlCu54 -0.999 1730.483 TTT 0.000 -3.201 -196.341 2h 55
536 Cu54Si 0.033 1730.483 TTT 0.000 -4.137 -197.812 2h 55
537 Cu54P 0.599 1730.483 TTT 0.000 -3.854 -198.589 2h 55
538 Cu54S 0.730 1730.483 TTT 0.000 -4.558 -198.348 2h 55
539 Cu54Cl 0.342 1730.483 TTT 0.000 -3.399 -196.487 2h 55
540 Cu54Ar -0.060 1730.483 TTT 0.000 -0.007 -192.878 2h 55
541 Cu54H 0.018 1730.483 TTT 0.000 -2.558 -196.520 3h 55
542 Cu54He -0.018 1730.483 TTT 0.000 -0.003 -192.846 3h 55
543 Cu54Li -3.363 1730.483 TTT 0.000 -2.332 -195.476 3h 55
544 BeCu54 -0.802 1730.483 TTT 0.000 -2.613 -195.497 3h 55
545 Cu54B 0.352 1730.483 TTT 0.000 -4.474 -197.667 3h 55
546 Cu54C 0.620 1730.483 TTT 0.000 -5.168 -199.261 3h 55
547 Cu54N 0.718 1730.483 TTT 0.000 -3.847 -199.816 3h 55
548 Cu54O 0.820 1730.483 TTT 0.000 -5.003 -199.380 3h 55
549 Cu54F 0.747 1730.483 TTT 0.000 -4.205 -197.474 3h 55
550 Cu54Ne -0.010 1730.483 TTT 0.000 -0.008 -192.866 3h 55