ASE database

ID Formula atom_E Energy ads_E str_E
501 Cu72P -1.888 -258.140 -4.158 -258.140
502 Cu72S -0.945 -257.602 -4.563 -257.602
503 Cu72Cl -0.243 -255.817 -3.480 -255.817
504 Cu72Ar -0.025 -252.163 -0.043 -252.163
505 Cu72H -1.117 -255.116 -1.905 -255.116
506 Cu72He 0.002 -252.122 -0.029 -252.122
507 Cu72Li -0.299 -254.178 -1.785 -254.178
508 BeCu72 -0.039 -253.474 -1.340 -253.474
509 Cu72B -0.349 -255.137 -2.695 -255.137
510 Cu72C -1.248 -256.266 -2.924 -256.266
511 Cu72N -3.124 -256.842 -1.624 -256.842
512 Cu72O -1.533 -257.085 -3.458 -257.085
513 Cu72F -0.424 -256.591 -4.073 -256.591
514 Cu72Ne -0.013 -252.138 -0.032 -252.138
515 Cu72Na -0.225 -253.859 -1.541 -253.859
516 Cu72Mg -0.004 -253.063 -0.965 -253.063
517 AlCu72 -0.295 -254.732 -2.343 -254.732
518 Cu72Si -0.830 -255.804 -2.880 -255.804
519 Cu72P -1.888 -256.307 -2.325 -256.307
520 Cu72S -0.945 -256.293 -3.255 -256.293
521 Cu72Cl -0.243 -255.574 -3.237 -255.574
522 Cu72Ar -0.025 -252.148 -0.028 -252.148
523 Cu54H -1.120 -196.524 -2.559 -196.524
524 Cu54He 0.002 -192.846 -0.002 -192.846
525 Cu54Li -0.299 -195.478 -2.334 -195.478