ASE database

Displaying rows 551-8 out of 8
↓ ID ✕ Formula ✕ Dipole_val ✕ str_E ✕ ads_E ✕ Charge ✕ Number of atoms ✕ atom_E ✕
551 Cu54Na -4.502 -195.024 -1.954 0.000 55 -0.225
552 Cu54Mg -2.595 -194.556 -1.707 0.000 55 -0.004
553 AlCu54 -1.006 -196.324 -3.184 0.000 55 -0.295
554 Cu54Si 0.043 -197.777 -4.102 0.000 55 -0.830
555 Cu54P 0.624 -198.547 -3.815 0.000 55 -1.888
556 Cu54S 0.764 -198.308 -4.518 0.000 55 -0.945
557 Cu54Cl 0.388 -196.481 -3.393 0.000 55 -0.243
558 Cu54Ar -0.053 -192.878 -0.008 0.000 55 -0.025
559 Cu54H 0.014 -196.523 -2.559 0.000 55 -1.120
560 Cu54He -0.017 -192.846 -0.003 0.000 55 0.002
561 Cu54Li -3.370 -195.466 -2.322 0.000 55 -0.299
562 BeCu54 -0.736 -195.474 -2.589 0.000 55 -0.039
563 Cu54B 0.322 -197.691 -4.498 0.000 55 -0.349
564 Cu54C 0.460 -199.256 -5.161 0.000 55 -1.250
565 Cu54N 0.716 -199.896 -3.931 0.000 55 -3.120
566 Cu54O 0.781 -199.469 -5.094 0.000 55 -1.530
567 Cu54F 0.687 -197.505 -4.236 0.000 55 -0.424
568 Cu54Ne -0.008 -192.866 -0.008 0.000 55 -0.013
569 Cu54Na -4.513 -195.018 -1.948 0.000 55 -0.225
570 Cu54Mg -2.577 -194.540 -1.691 0.000 55 -0.004
571 AlCu54 -0.999 -196.341 -3.201 0.000 55 -0.295
572 Cu54Si 0.034 -197.812 -4.137 0.000 55 -0.830
573 Cu54P 0.602 -198.588 -3.853 0.000 55 -1.890
574 Cu54S 0.738 -198.347 -4.557 0.000 55 -0.945
575 Cu54Cl 0.581 -196.406 -3.318 0.000 55 -0.243