ASE database

Displaying rows 526-8 out of 8
↓ ID ✕ Formula ✕ PBC ✕ Maximum stress ✕ atom_E ✕ Charge ✕ str_E ✕ Energy ✕ Volume ✕
526 BeCu54 TTT 0.008 -0.039 0.000 -195.504 -195.504 1730.483
527 Cu54B TTT 0.006 -0.349 0.000 -197.683 -197.683 1730.483
528 Cu54C TTT 0.006 -1.250 0.000 -199.306 -199.306 1730.483
529 Cu54N TTT 0.005 -3.120 0.000 -199.897 -199.897 1730.483
530 Cu54O TTT 0.005 -1.530 0.000 -199.470 -199.470 1730.483
531 Cu54F TTT 0.006 -0.424 0.000 -197.506 -197.506 1730.483
532 Cu54Ne TTT 0.007 -0.013 0.000 -192.866 -192.866 1730.483
533 Cu54Na TTT 0.008 -0.225 0.000 -195.024 -195.024 1730.483
534 Cu54Mg TTT 0.007 -0.004 0.000 -194.558 -194.558 1730.483
535 AlCu54 TTT 0.007 -0.295 0.000 -196.341 -196.341 1730.483
536 Cu54Si TTT 0.006 -0.830 0.000 -197.812 -197.812 1730.483
537 Cu54P TTT 0.006 -1.890 0.000 -198.589 -198.589 1730.483
538 Cu54S TTT 0.006 -0.945 0.000 -198.348 -198.348 1730.483
539 Cu54Cl TTT 0.006 -0.243 0.000 -196.487 -196.487 1730.483
540 Cu54Ar TTT 0.007 -0.025 0.000 -192.878 -192.878 1730.483
541 Cu54H TTT 0.007 -1.117 0.000 -196.520 -196.520 1730.483
542 Cu54He TTT 0.007 0.002 0.000 -192.846 -192.846 1730.483
543 Cu54Li TTT 0.008 -0.299 0.000 -195.476 -195.476 1730.483
544 BeCu54 TTT 0.007 -0.039 0.000 -195.497 -195.497 1730.483
545 Cu54B TTT 0.006 -0.349 0.000 -197.667 -197.667 1730.483
546 Cu54C TTT 0.005 -1.248 0.000 -199.261 -199.261 1730.483
547 Cu54N TTT 0.005 -3.124 0.000 -199.816 -199.816 1730.483
548 Cu54O TTT 0.006 -1.533 0.000 -199.380 -199.380 1730.483
549 Cu54F TTT 0.006 -0.424 0.000 -197.474 -197.474 1730.483
550 Cu54Ne TTT 0.007 -0.013 0.000 -192.866 -192.866 1730.483