ASE database

Displaying rows 526-8 out of 8
↓ ID ✕ Formula ✕ Dipole_val ✕ PBC ✕ distance ✕ Maximum stress ✕ Magnetic moment ✕ Username ✕ str_E ✕
526 BeCu54 -0.793 TTT 1.451 0.008 0.000 hecc -195.504
527 Cu54B 0.375 TTT 1.151 0.006 -0.000 hecc -197.683
528 Cu54C 0.645 TTT 0.969 0.006 -0.000 hecc -199.306
529 Cu54N 0.716 TTT 0.961 0.005 -0.000 hecc -199.897
530 Cu54O 0.779 TTT 1.074 0.005 -0.000 hecc -199.470
531 Cu54F 0.691 TTT 1.412 0.006 0.000 hecc -197.506
532 Cu54Ne -0.008 TTT 3.642 0.007 -0.000 hecc -192.866
533 Cu54Na -4.509 TTT 2.382 0.008 0.000 hecc -195.024
534 Cu54Mg -2.586 TTT 2.028 0.007 -0.000 hecc -194.558
535 AlCu54 -0.999 TTT 1.816 0.007 -0.000 hecc -196.341
536 Cu54Si 0.033 TTT 1.653 0.006 -0.000 hecc -197.812
537 Cu54P 0.599 TTT 1.587 0.006 -0.000 hecc -198.589
538 Cu54S 0.730 TTT 1.587 0.006 -0.000 hecc -198.348
539 Cu54Cl 0.342 TTT 1.825 0.006 -0.000 hecc -196.487
540 Cu54Ar -0.060 TTT 3.872 0.007 0.000 hecc -192.878
541 Cu54H 0.018 TTT 0.924 0.007 -0.000 hecc -196.520
542 Cu54He -0.018 TTT 3.741 0.007 -0.000 hecc -192.846
543 Cu54Li -3.363 TTT 2.030 0.008 0.000 hecc -195.476
544 BeCu54 -0.802 TTT 1.445 0.007 0.000 hecc -195.497
545 Cu54B 0.352 TTT 1.126 0.006 0.000 hecc -197.667
546 Cu54C 0.620 TTT 0.945 0.005 -0.000 hecc -199.261
547 Cu54N 0.718 TTT 0.958 0.005 0.000 hecc -199.816
548 Cu54O 0.820 TTT 1.094 0.006 0.000 hecc -199.380
549 Cu54F 0.747 TTT 1.440 0.006 0.000 hecc -197.474
550 Cu54Ne -0.010 TTT 3.613 0.007 0.000 hecc -192.866