ASE database

Displaying rows 501-8 out of 8
↓ ID ✕ Formula ✕ Maximum stress ✕ atom_E ✕ Magnetic moment ✕ Calculator ✕ Energy ✕ str_E ✕
501 Cu72P 0.009 -1.888 0.000 vasp -258.140 -258.140
502 Cu72S 0.008 -0.945 0.000 vasp -257.602 -257.602
503 Cu72Cl 0.009 -0.243 0.000 vasp -255.817 -255.817
504 Cu72Ar 0.009 -0.025 0.000 vasp -252.163 -252.163
505 Cu72H 0.009 -1.117 -0.000 vasp -255.116 -255.116
506 Cu72He 0.010 0.002 0.000 vasp -252.122 -252.122
507 Cu72Li 0.010 -0.299 -0.000 vasp -254.178 -254.178
508 BeCu72 0.009 -0.039 -0.000 vasp -253.474 -253.474
509 Cu72B 0.010 -0.349 -0.000 vasp -255.137 -255.137
510 Cu72C 0.010 -1.248 -0.000 vasp -256.266 -256.266
511 Cu72N 0.010 -3.124 -0.006 vasp -256.842 -256.842
512 Cu72O 0.009 -1.533 0.000 vasp -257.085 -257.085
513 Cu72F 0.009 -0.424 0.000 vasp -256.591 -256.591
514 Cu72Ne 0.010 -0.013 -0.000 vasp -252.138 -252.138
515 Cu72Na 0.010 -0.225 -0.000 vasp -253.859 -253.859
516 Cu72Mg 0.009 -0.004 -0.000 vasp -253.063 -253.063
517 AlCu72 0.010 -0.295 -0.000 vasp -254.732 -254.732
518 Cu72Si 0.010 -0.830 -0.000 vasp -255.804 -255.804
519 Cu72P 0.010 -1.888 -0.000 vasp -256.307 -256.307
520 Cu72S 0.009 -0.945 -0.000 vasp -256.293 -256.293
521 Cu72Cl 0.009 -0.243 -0.000 vasp -255.574 -255.574
522 Cu72Ar 0.010 -0.025 0.000 vasp -252.148 -252.148
523 Cu54H 0.007 -1.120 -0.000 vasp -196.524 -196.524
524 Cu54He 0.007 0.002 -0.000 vasp -192.846 -192.846
525 Cu54Li 0.008 -0.299 0.000 vasp -195.478 -195.478