ASE database

Displaying rows 551-414 out of 414
↓ ID ✕ Formula ✕ Volume ✕ Energy ✕ plane_index ✕ Maximum force ✕ slab_E ✕ PBC ✕ Number of atoms ✕ ads_E ✕
551 Cu54Na 1730.483 -195.024 111 0.009 -192.845 TTT 55 -1.954
552 Cu54Mg 1730.483 -194.556 111 0.005 -192.845 TTT 55 -1.707
553 AlCu54 1730.483 -196.324 111 0.008 -192.845 TTT 55 -3.184
554 Cu54Si 1730.483 -197.777 111 0.009 -192.845 TTT 55 -4.102
555 Cu54P 1730.483 -198.547 111 0.004 -192.845 TTT 55 -3.815
556 Cu54S 1730.483 -198.308 111 0.009 -192.845 TTT 55 -4.518
557 Cu54Cl 1730.483 -196.481 111 0.009 -192.845 TTT 55 -3.393
558 Cu54Ar 1730.483 -192.878 111 0.009 -192.845 TTT 55 -0.008
559 Cu54H 1730.483 -196.523 111 0.006 -192.845 TTT 55 -2.559
560 Cu54He 1730.483 -192.846 111 0.006 -192.845 TTT 55 -0.003
561 Cu54Li 1730.483 -195.466 111 0.007 -192.845 TTT 55 -2.322
562 BeCu54 1730.483 -195.474 111 0.009 -192.845 TTT 55 -2.589
563 Cu54B 1730.483 -197.691 111 0.008 -192.845 TTT 55 -4.498
564 Cu54C 1730.483 -199.256 111 0.010 -192.845 TTT 55 -5.161
565 Cu54N 1730.483 -199.896 111 0.008 -192.845 TTT 55 -3.931
566 Cu54O 1730.483 -199.469 111 0.007 -192.845 TTT 55 -5.094
567 Cu54F 1730.483 -197.505 111 0.009 -192.845 TTT 55 -4.236
568 Cu54Ne 1730.483 -192.866 111 0.007 -192.845 TTT 55 -0.008
569 Cu54Na 1730.483 -195.018 111 0.006 -192.845 TTT 55 -1.948
570 Cu54Mg 1730.483 -194.540 111 0.010 -192.845 TTT 55 -1.691
571 AlCu54 1730.483 -196.341 111 0.010 -192.845 TTT 55 -3.201
572 Cu54Si 1730.483 -197.812 111 0.010 -192.845 TTT 55 -4.137
573 Cu54P 1730.483 -198.588 111 0.006 -192.845 TTT 55 -3.853
574 Cu54S 1730.483 -198.347 111 0.008 -192.845 TTT 55 -4.557
575 Cu54Cl 1730.483 -196.406 111 0.011 -192.845 TTT 55 -3.318