ASE database

Displaying rows 551-575 out of 594
↓ ID ✕ Formula ✕ Maximum stress ✕ Mass ✕ Charge ✕ ads_E ✕ slab_E ✕ Volume ✕ Dipole_val ✕ Maximum force ✕
551 Cu54Na 0.008 3454.474 0.000 -1.954 -192.845 1730.483 -4.502 0.009
552 Cu54Mg 0.007 3455.789 0.000 -1.707 -192.845 1730.483 -2.595 0.005
553 AlCu54 0.007 3458.466 0.000 -3.184 -192.845 1730.483 -1.006 0.008
554 Cu54Si 0.006 3459.569 0.000 -4.102 -192.845 1730.483 0.043 0.009
555 Cu54P 0.006 3462.458 0.000 -3.815 -192.845 1730.483 0.624 0.004
556 Cu54S 0.006 3463.544 0.000 -4.518 -192.845 1730.483 0.764 0.009
557 Cu54Cl 0.006 3466.934 0.000 -3.393 -192.845 1730.483 0.388 0.009
558 Cu54Ar 0.007 3471.432 0.000 -0.008 -192.845 1730.483 -0.053 0.009
559 Cu54H 0.007 3432.492 0.000 -2.559 -192.845 1730.483 0.014 0.006
560 Cu54He 0.007 3435.487 0.000 -0.003 -192.845 1730.483 -0.017 0.006
561 Cu54Li 0.008 3438.424 0.000 -2.322 -192.845 1730.483 -3.370 0.007
562 BeCu54 0.008 3440.496 0.000 -2.589 -192.845 1730.483 -0.736 0.009
563 Cu54B 0.008 3442.294 0.000 -4.498 -192.845 1730.483 0.322 0.008
564 Cu54C 0.008 3443.495 0.000 -5.161 -192.845 1730.483 0.460 0.010
565 Cu54N 0.005 3445.491 0.000 -3.931 -192.845 1730.483 0.716 0.008
566 Cu54O 0.005 3447.483 0.000 -5.094 -192.845 1730.483 0.781 0.007
567 Cu54F 0.006 3450.482 0.000 -4.236 -192.845 1730.483 0.687 0.009
568 Cu54Ne 0.007 3451.664 0.000 -0.008 -192.845 1730.483 -0.008 0.007
569 Cu54Na 0.008 3454.474 0.000 -1.948 -192.845 1730.483 -4.513 0.006
570 Cu54Mg 0.008 3455.789 0.000 -1.691 -192.845 1730.483 -2.577 0.010
571 AlCu54 0.007 3458.466 0.000 -3.201 -192.845 1730.483 -0.999 0.010
572 Cu54Si 0.006 3459.569 0.000 -4.137 -192.845 1730.483 0.034 0.010
573 Cu54P 0.006 3462.458 0.000 -3.853 -192.845 1730.483 0.602 0.006
574 Cu54S 0.005 3463.544 0.000 -4.557 -192.845 1730.483 0.738 0.008
575 Cu54Cl 0.006 3466.934 0.000 -3.318 -192.845 1730.483 0.581 0.011