ASE database

Displaying rows 526-550 out of 594
↓ ID ✕ Formula ✕ atom_E ✕ ads_E ✕ ads_site ✕ Maximum force ✕ Maximum stress ✕ slab_E ✕ PBC ✕ Charge ✕
526 BeCu54 -0.039 -2.619 2h 0.010 0.008 -192.845 TTT 0.000
527 Cu54B -0.349 -4.490 2h 0.005 0.006 -192.845 TTT 0.000
528 Cu54C -1.250 -5.211 2h 0.009 0.006 -192.845 TTT 0.000
529 Cu54N -3.120 -3.932 2h 0.005 0.005 -192.845 TTT 0.000
530 Cu54O -1.530 -5.095 2h 0.013 0.005 -192.845 TTT 0.000
531 Cu54F -0.424 -4.237 2h 0.010 0.006 -192.845 TTT 0.000
532 Cu54Ne -0.013 -0.008 2h 0.010 0.007 -192.845 TTT 0.000
533 Cu54Na -0.225 -1.954 2h 0.006 0.008 -192.845 TTT 0.000
534 Cu54Mg -0.004 -1.709 2h 0.008 0.007 -192.845 TTT 0.000
535 AlCu54 -0.295 -3.201 2h 0.008 0.007 -192.845 TTT 0.000
536 Cu54Si -0.830 -4.137 2h 0.010 0.006 -192.845 TTT 0.000
537 Cu54P -1.890 -3.854 2h 0.010 0.006 -192.845 TTT 0.000
538 Cu54S -0.945 -4.558 2h 0.008 0.006 -192.845 TTT 0.000
539 Cu54Cl -0.243 -3.399 2h 0.009 0.006 -192.845 TTT 0.000
540 Cu54Ar -0.025 -0.007 2h 0.011 0.007 -192.845 TTT 0.000
541 Cu54H -1.117 -2.558 3h 0.009 0.007 -192.845 TTT 0.000
542 Cu54He 0.002 -0.003 3h 0.009 0.007 -192.845 TTT 0.000
543 Cu54Li -0.299 -2.332 3h 0.010 0.008 -192.845 TTT 0.000
544 BeCu54 -0.039 -2.613 3h 0.010 0.007 -192.845 TTT 0.000
545 Cu54B -0.349 -4.474 3h 0.005 0.006 -192.845 TTT 0.000
546 Cu54C -1.248 -5.168 3h 0.009 0.005 -192.845 TTT 0.000
547 Cu54N -3.124 -3.847 3h 0.009 0.005 -192.845 TTT 0.000
548 Cu54O -1.533 -5.003 3h 0.010 0.006 -192.845 TTT 0.000
549 Cu54F -0.424 -4.205 3h 0.010 0.006 -192.845 TTT 0.000
550 Cu54Ne -0.013 -0.008 3h 0.010 0.007 -192.845 TTT 0.000