ASE database

Displaying rows 1-25 out of 594
↑ ID ✕ Formula ✕ Charge ✕ PBC ✕ atom_E ✕ slab_E ✕ ads_site ✕
594 Cu54Ar 0.000 TTT -0.025 -192.845 0t
593 Cu54Cl 0.000 TTT -0.243 -192.845 0t
592 Cu54S 0.000 TTT -0.945 -192.845 0t
591 Cu54P 0.000 TTT -1.888 -192.845 0t
590 Cu54Si 0.000 TTT -0.830 -192.845 0t
589 AlCu54 0.000 TTT -0.295 -192.845 0t
588 Cu54Mg 0.000 TTT -0.004 -192.845 0t
587 Cu54Na 0.000 TTT -0.225 -192.845 0t
586 Cu54Ne 0.000 TTT -0.013 -192.845 0t
585 Cu54F 0.000 TTT -0.424 -192.845 0t
584 Cu54O 0.000 TTT -1.533 -192.845 0t
583 Cu54N 0.000 TTT -3.124 -192.845 0t
582 Cu54C 0.000 TTT -1.248 -192.845 0t
581 Cu54B 0.000 TTT -0.349 -192.845 0t
580 BeCu54 0.000 TTT -0.039 -192.845 0t
579 Cu54Li 0.000 TTT -0.299 -192.845 0t
578 Cu54He 0.000 TTT 0.002 -192.845 0t
577 Cu54H 0.000 TTT -1.117 -192.845 0t
576 Cu54Ar 0.000 TTT -0.025 -192.845 1b
575 Cu54Cl 0.000 TTT -0.243 -192.845 1b
574 Cu54S 0.000 TTT -0.945 -192.845 1b
573 Cu54P 0.000 TTT -1.890 -192.845 1b
572 Cu54Si 0.000 TTT -0.830 -192.845 1b
571 AlCu54 0.000 TTT -0.295 -192.845 1b
570 Cu54Mg 0.000 TTT -0.004 -192.845 1b