ASE database

ID Formula str_E Volume atom_E Number of atoms Age distance Maximum stress Dipole_val
551 Cu54Na -195.024 1730.483 -0.225 55 13M 2.376 0.008 -4.502
552 Cu54Mg -194.556 1730.483 -0.004 55 13M 2.025 0.007 -2.595
553 AlCu54 -196.324 1730.483 -0.295 55 13M 1.820 0.007 -1.006
554 Cu54Si -197.777 1730.483 -0.830 55 13M 1.670 0.006 0.043
555 Cu54P -198.547 1730.483 -1.888 55 13M 1.593 0.006 0.624
556 Cu54S -198.308 1730.483 -0.945 55 13M 1.602 0.006 0.764
557 Cu54Cl -196.481 1730.483 -0.243 55 13M 1.841 0.006 0.388
558 Cu54Ar -192.878 1730.483 -0.025 55 13M 3.920 0.007 -0.053
559 Cu54H -196.523 1730.483 -1.120 55 13M 0.916 0.007 0.014
560 Cu54He -192.846 1730.483 0.002 55 13M 3.776 0.007 -0.017
561 Cu54Li -195.466 1730.483 -0.299 55 13M 2.025 0.008 -3.370
562 BeCu54 -195.474 1730.483 -0.039 55 13M 1.308 0.008 -0.736
563 Cu54B -197.691 1730.483 -0.349 55 13M 0.834 0.008 0.322
564 Cu54C -199.256 1730.483 -1.250 55 13M 0.665 0.008 0.460
565 Cu54N -199.896 1730.483 -3.120 55 13M 0.958 0.005 0.716
566 Cu54O -199.469 1730.483 -1.530 55 13M 1.073 0.005 0.781
567 Cu54F -197.505 1730.483 -0.424 55 13M 1.409 0.006 0.687
568 Cu54Ne -192.866 1730.483 -0.013 55 13M 3.657 0.007 -0.008
569 Cu54Na -195.018 1730.483 -0.225 55 13M 2.384 0.008 -4.513
570 Cu54Mg -194.540 1730.483 -0.004 55 13M 1.991 0.008 -2.577
571 AlCu54 -196.341 1730.483 -0.295 55 13M 1.820 0.007 -0.999
572 Cu54Si -197.812 1730.483 -0.830 55 13M 1.654 0.006 0.034
573 Cu54P -198.588 1730.483 -1.890 55 13M 1.585 0.006 0.602
574 Cu54S -198.347 1730.483 -0.945 55 13M 1.587 0.005 0.738
575 Cu54Cl -196.406 1730.483 -0.243 55 13M 1.895 0.006 0.581