ASE database

ID Formula ads_E Maximum force Volume atom_E
501 Cu72P -4.158 0.007 2163.104 -1.888
502 Cu72S -4.563 0.005 2163.104 -0.945
503 Cu72Cl -3.480 0.009 2163.104 -0.243
504 Cu72Ar -0.043 0.011 2163.104 -0.025
505 Cu72H -1.905 0.006 2163.104 -1.117
506 Cu72He -0.029 0.009 2163.104 0.002
507 Cu72Li -1.785 0.004 2163.104 -0.299
508 BeCu72 -1.340 0.013 2163.104 -0.039
509 Cu72B -2.695 0.008 2163.104 -0.349
510 Cu72C -2.924 0.010 2163.104 -1.248
511 Cu72N -1.624 0.009 2163.104 -3.124
512 Cu72O -3.458 0.007 2163.104 -1.533
513 Cu72F -4.073 0.010 2163.104 -0.424
514 Cu72Ne -0.032 0.007 2163.104 -0.013
515 Cu72Na -1.541 0.009 2163.104 -0.225
516 Cu72Mg -0.965 0.006 2163.104 -0.004
517 AlCu72 -2.343 0.010 2163.104 -0.295
518 Cu72Si -2.880 0.013 2163.104 -0.830
519 Cu72P -2.325 0.008 2163.104 -1.888
520 Cu72S -3.255 0.009 2163.104 -0.945
521 Cu72Cl -3.237 0.006 2163.104 -0.243
522 Cu72Ar -0.028 0.008 2163.104 -0.025
523 Cu54H -2.559 0.005 1730.483 -1.120
524 Cu54He -0.002 0.010 1730.483 0.002
525 Cu54Li -2.334 0.006 1730.483 -0.299