ASE database

Displaying rows 551-575 out of 594
↓ ID ✕ Formula ✕ str_E ✕ plane_index ✕ Volume ✕ Charge ✕ atom_E ✕ ads_E ✕ Age ✕ Calculator ✕
551 Cu54Na -195.024 111 1730.483 0.000 -0.225 -1.954 15M vasp
552 Cu54Mg -194.556 111 1730.483 0.000 -0.004 -1.707 15M vasp
553 AlCu54 -196.324 111 1730.483 0.000 -0.295 -3.184 15M vasp
554 Cu54Si -197.777 111 1730.483 0.000 -0.830 -4.102 15M vasp
555 Cu54P -198.547 111 1730.483 0.000 -1.888 -3.815 15M vasp
556 Cu54S -198.308 111 1730.483 0.000 -0.945 -4.518 15M vasp
557 Cu54Cl -196.481 111 1730.483 0.000 -0.243 -3.393 15M vasp
558 Cu54Ar -192.878 111 1730.483 0.000 -0.025 -0.008 15M vasp
559 Cu54H -196.523 111 1730.483 0.000 -1.120 -2.559 15M vasp
560 Cu54He -192.846 111 1730.483 0.000 0.002 -0.003 15M vasp
561 Cu54Li -195.466 111 1730.483 0.000 -0.299 -2.322 15M vasp
562 BeCu54 -195.474 111 1730.483 0.000 -0.039 -2.589 15M vasp
563 Cu54B -197.691 111 1730.483 0.000 -0.349 -4.498 15M vasp
564 Cu54C -199.256 111 1730.483 0.000 -1.250 -5.161 15M vasp
565 Cu54N -199.896 111 1730.483 0.000 -3.120 -3.931 15M vasp
566 Cu54O -199.469 111 1730.483 0.000 -1.530 -5.094 15M vasp
567 Cu54F -197.505 111 1730.483 0.000 -0.424 -4.236 15M vasp
568 Cu54Ne -192.866 111 1730.483 0.000 -0.013 -0.008 15M vasp
569 Cu54Na -195.018 111 1730.483 0.000 -0.225 -1.948 15M vasp
570 Cu54Mg -194.540 111 1730.483 0.000 -0.004 -1.691 15M vasp
571 AlCu54 -196.341 111 1730.483 0.000 -0.295 -3.201 15M vasp
572 Cu54Si -197.812 111 1730.483 0.000 -0.830 -4.137 15M vasp
573 Cu54P -198.588 111 1730.483 0.000 -1.890 -3.853 15M vasp
574 Cu54S -198.347 111 1730.483 0.000 -0.945 -4.557 15M vasp
575 Cu54Cl -196.406 111 1730.483 0.000 -0.243 -3.318 15M vasp