ASE database

ID Formula Magnetic moment str_E distance ads_E Calculator
451 Cu72H -0.000 -255.415 0.450 -2.204 vasp
452 Cu72He -0.000 -252.134 3.443 -0.042 vasp
453 Cu72Li -0.000 -254.815 1.446 -2.422 vasp
454 BeCu72 0.000 -255.427 0.756 -3.294 vasp
455 Cu72B -0.000 -257.801 0.457 -5.359 vasp
456 Cu72C -0.000 -259.212 0.360 -5.870 vasp
457 Cu72N 0.000 -259.365 0.400 -4.147 vasp
458 Cu72O 0.000 -258.600 0.561 -4.973 vasp
459 Cu72F 0.000 -256.596 0.997 -4.078 vasp
460 Cu72Ne -0.000 -252.153 3.322 -0.046 vasp
461 Cu72Na -0.000 -254.282 1.908 -1.964 vasp
462 Cu72Mg -0.000 -254.080 1.395 -1.982 vasp
463 AlCu72 -0.000 -256.161 1.086 -3.772 vasp
464 Cu72Si -0.000 -257.851 0.917 -4.927 vasp
465 Cu72P -0.000 -258.569 0.924 -4.587 vasp
466 Cu72S 0.000 -257.977 1.028 -4.939 vasp
467 Cu72Cl -0.000 -255.701 1.470 -3.364 vasp
468 Cu72Ar 0.000 -252.160 3.492 -0.041 vasp
469 Cu72H 0.000 -255.660 1.065 -2.449 vasp
470 Cu72He -0.000 -252.135 3.762 -0.043 vasp
471 Cu72Li 0.000 -254.271 2.042 -1.878 vasp
472 BeCu72 0.000 -253.940 1.552 -1.807 vasp
473 Cu72B 0.000 -256.075 0.820 -3.632 vasp
474 Cu72C -0.000 -259.005 -1.144 -5.663 vasp
475 Cu72N -0.000 -258.378 1.014 -3.160 vasp