ASE database

Displaying rows 551-8 out of 8
↓ ID ✕ Formula ✕ slab_E ✕ Volume ✕ Calculator ✕ Energy ✕ Maximum stress ✕ Charge ✕
551 Cu54Na -192.845 1730.483 vasp -195.024 0.008 0.000
552 Cu54Mg -192.845 1730.483 vasp -194.556 0.007 0.000
553 AlCu54 -192.845 1730.483 vasp -196.324 0.007 0.000
554 Cu54Si -192.845 1730.483 vasp -197.777 0.006 0.000
555 Cu54P -192.845 1730.483 vasp -198.547 0.006 0.000
556 Cu54S -192.845 1730.483 vasp -198.308 0.006 0.000
557 Cu54Cl -192.845 1730.483 vasp -196.481 0.006 0.000
558 Cu54Ar -192.845 1730.483 vasp -192.878 0.007 0.000
559 Cu54H -192.845 1730.483 vasp -196.523 0.007 0.000
560 Cu54He -192.845 1730.483 vasp -192.846 0.007 0.000
561 Cu54Li -192.845 1730.483 vasp -195.466 0.008 0.000
562 BeCu54 -192.845 1730.483 vasp -195.474 0.008 0.000
563 Cu54B -192.845 1730.483 vasp -197.691 0.008 0.000
564 Cu54C -192.845 1730.483 vasp -199.256 0.008 0.000
565 Cu54N -192.845 1730.483 vasp -199.896 0.005 0.000
566 Cu54O -192.845 1730.483 vasp -199.469 0.005 0.000
567 Cu54F -192.845 1730.483 vasp -197.505 0.006 0.000
568 Cu54Ne -192.845 1730.483 vasp -192.866 0.007 0.000
569 Cu54Na -192.845 1730.483 vasp -195.018 0.008 0.000
570 Cu54Mg -192.845 1730.483 vasp -194.540 0.008 0.000
571 AlCu54 -192.845 1730.483 vasp -196.341 0.007 0.000
572 Cu54Si -192.845 1730.483 vasp -197.812 0.006 0.000
573 Cu54P -192.845 1730.483 vasp -198.588 0.006 0.000
574 Cu54S -192.845 1730.483 vasp -198.347 0.005 0.000
575 Cu54Cl -192.845 1730.483 vasp -196.406 0.006 0.000