ASE database

Displaying rows 526-550 out of 594
↓ ID ✕ Formula ✕ str_E ✕ Volume ✕ atom_E ✕ Number of atoms ✕ Age ✕ distance ✕ Maximum stress ✕ Dipole_val ✕ Maximum force ✕
526 BeCu54 -195.504 1730.483 -0.039 55 13M 1.451 0.008 -0.793 0.010
527 Cu54B -197.683 1730.483 -0.349 55 13M 1.151 0.006 0.375 0.005
528 Cu54C -199.306 1730.483 -1.250 55 13M 0.969 0.006 0.645 0.009
529 Cu54N -199.897 1730.483 -3.120 55 13M 0.961 0.005 0.716 0.005
530 Cu54O -199.470 1730.483 -1.530 55 13M 1.074 0.005 0.779 0.013
531 Cu54F -197.506 1730.483 -0.424 55 13M 1.412 0.006 0.691 0.010
532 Cu54Ne -192.866 1730.483 -0.013 55 13M 3.642 0.007 -0.008 0.010
533 Cu54Na -195.024 1730.483 -0.225 55 13M 2.382 0.008 -4.509 0.006
534 Cu54Mg -194.558 1730.483 -0.004 55 13M 2.028 0.007 -2.586 0.008
535 AlCu54 -196.341 1730.483 -0.295 55 13M 1.816 0.007 -0.999 0.008
536 Cu54Si -197.812 1730.483 -0.830 55 13M 1.653 0.006 0.033 0.010
537 Cu54P -198.589 1730.483 -1.890 55 13M 1.587 0.006 0.599 0.010
538 Cu54S -198.348 1730.483 -0.945 55 13M 1.587 0.006 0.730 0.008
539 Cu54Cl -196.487 1730.483 -0.243 55 13M 1.825 0.006 0.342 0.009
540 Cu54Ar -192.878 1730.483 -0.025 55 13M 3.872 0.007 -0.060 0.011
541 Cu54H -196.520 1730.483 -1.117 55 13M 0.924 0.007 0.018 0.009
542 Cu54He -192.846 1730.483 0.002 55 13M 3.741 0.007 -0.018 0.009
543 Cu54Li -195.476 1730.483 -0.299 55 13M 2.030 0.008 -3.363 0.010
544 BeCu54 -195.497 1730.483 -0.039 55 13M 1.445 0.007 -0.802 0.010
545 Cu54B -197.667 1730.483 -0.349 55 13M 1.126 0.006 0.352 0.005
546 Cu54C -199.261 1730.483 -1.248 55 13M 0.945 0.005 0.620 0.009
547 Cu54N -199.816 1730.483 -3.124 55 13M 0.958 0.005 0.718 0.009
548 Cu54O -199.380 1730.483 -1.533 55 13M 1.094 0.006 0.820 0.010
549 Cu54F -197.474 1730.483 -0.424 55 13M 1.440 0.006 0.747 0.010
550 Cu54Ne -192.866 1730.483 -0.013 55 13M 3.613 0.007 -0.010 0.010