ASE database

Displaying rows 551-575 out of 594
↓ ID ✕ Formula ✕ Maximum stress ✕ ads_E ✕ Calculator ✕ ads_site ✕ Energy ✕ plane_index ✕ str_E ✕ Mass ✕ Username ✕ Age ✕
551 Cu54Na 0.008 -1.954 vasp 3h -195.024 111 -195.024 3454.474 hecc 15M
552 Cu54Mg 0.007 -1.707 vasp 3h -194.556 111 -194.556 3455.789 hecc 15M
553 AlCu54 0.007 -3.184 vasp 3h -196.324 111 -196.324 3458.466 hecc 15M
554 Cu54Si 0.006 -4.102 vasp 3h -197.777 111 -197.777 3459.569 hecc 15M
555 Cu54P 0.006 -3.815 vasp 3h -198.547 111 -198.547 3462.458 hecc 15M
556 Cu54S 0.006 -4.518 vasp 3h -198.308 111 -198.308 3463.544 hecc 15M
557 Cu54Cl 0.006 -3.393 vasp 3h -196.481 111 -196.481 3466.934 hecc 15M
558 Cu54Ar 0.007 -0.008 vasp 3h -192.878 111 -192.878 3471.432 hecc 15M
559 Cu54H 0.007 -2.559 vasp 1b -196.523 111 -196.523 3432.492 hecc 15M
560 Cu54He 0.007 -0.003 vasp 1b -192.846 111 -192.846 3435.487 hecc 15M
561 Cu54Li 0.008 -2.322 vasp 1b -195.466 111 -195.466 3438.424 hecc 15M
562 BeCu54 0.008 -2.589 vasp 1b -195.474 111 -195.474 3440.496 hecc 15M
563 Cu54B 0.008 -4.498 vasp 1b -197.691 111 -197.691 3442.294 hecc 15M
564 Cu54C 0.008 -5.161 vasp 1b -199.256 111 -199.256 3443.495 hecc 15M
565 Cu54N 0.005 -3.931 vasp 1b -199.896 111 -199.896 3445.491 hecc 15M
566 Cu54O 0.005 -5.094 vasp 1b -199.469 111 -199.469 3447.483 hecc 15M
567 Cu54F 0.006 -4.236 vasp 1b -197.505 111 -197.505 3450.482 hecc 15M
568 Cu54Ne 0.007 -0.008 vasp 1b -192.866 111 -192.866 3451.664 hecc 15M
569 Cu54Na 0.008 -1.948 vasp 1b -195.018 111 -195.018 3454.474 hecc 15M
570 Cu54Mg 0.008 -1.691 vasp 1b -194.540 111 -194.540 3455.789 hecc 15M
571 AlCu54 0.007 -3.201 vasp 1b -196.341 111 -196.341 3458.466 hecc 15M
572 Cu54Si 0.006 -4.137 vasp 1b -197.812 111 -197.812 3459.569 hecc 15M
573 Cu54P 0.006 -3.853 vasp 1b -198.588 111 -198.588 3462.458 hecc 15M
574 Cu54S 0.005 -4.557 vasp 1b -198.347 111 -198.347 3463.544 hecc 15M
575 Cu54Cl 0.006 -3.318 vasp 1b -196.406 111 -196.406 3466.934 hecc 15M