ASE database

Displaying rows 526-8 out of 8
↓ ID ✕ Formula ✕ ads_E ✕ slab_E ✕ str_E ✕ Calculator ✕ Username ✕ atom_E ✕ Volume ✕
526 BeCu54 -2.619 -192.845 -195.504 vasp hecc -0.039 1730.483
527 Cu54B -4.490 -192.845 -197.683 vasp hecc -0.349 1730.483
528 Cu54C -5.211 -192.845 -199.306 vasp hecc -1.250 1730.483
529 Cu54N -3.932 -192.845 -199.897 vasp hecc -3.120 1730.483
530 Cu54O -5.095 -192.845 -199.470 vasp hecc -1.530 1730.483
531 Cu54F -4.237 -192.845 -197.506 vasp hecc -0.424 1730.483
532 Cu54Ne -0.008 -192.845 -192.866 vasp hecc -0.013 1730.483
533 Cu54Na -1.954 -192.845 -195.024 vasp hecc -0.225 1730.483
534 Cu54Mg -1.709 -192.845 -194.558 vasp hecc -0.004 1730.483
535 AlCu54 -3.201 -192.845 -196.341 vasp hecc -0.295 1730.483
536 Cu54Si -4.137 -192.845 -197.812 vasp hecc -0.830 1730.483
537 Cu54P -3.854 -192.845 -198.589 vasp hecc -1.890 1730.483
538 Cu54S -4.558 -192.845 -198.348 vasp hecc -0.945 1730.483
539 Cu54Cl -3.399 -192.845 -196.487 vasp hecc -0.243 1730.483
540 Cu54Ar -0.007 -192.845 -192.878 vasp hecc -0.025 1730.483
541 Cu54H -2.558 -192.845 -196.520 vasp hecc -1.117 1730.483
542 Cu54He -0.003 -192.845 -192.846 vasp hecc 0.002 1730.483
543 Cu54Li -2.332 -192.845 -195.476 vasp hecc -0.299 1730.483
544 BeCu54 -2.613 -192.845 -195.497 vasp hecc -0.039 1730.483
545 Cu54B -4.474 -192.845 -197.667 vasp hecc -0.349 1730.483
546 Cu54C -5.168 -192.845 -199.261 vasp hecc -1.248 1730.483
547 Cu54N -3.847 -192.845 -199.816 vasp hecc -3.124 1730.483
548 Cu54O -5.003 -192.845 -199.380 vasp hecc -1.533 1730.483
549 Cu54F -4.205 -192.845 -197.474 vasp hecc -0.424 1730.483
550 Cu54Ne -0.008 -192.845 -192.866 vasp hecc -0.013 1730.483