ASE database

Displaying rows 501-525 out of 594
↓ ID ✕ Formula ✕ Maximum stress ✕ ads_E ✕ Calculator ✕ ads_site ✕ Energy ✕ plane_index ✕ str_E ✕
501 Cu72P 0.009 -4.158 vasp 1b -258.140 110 -258.140
502 Cu72S 0.008 -4.563 vasp 1b -257.602 110 -257.602
503 Cu72Cl 0.009 -3.480 vasp 1b -255.817 110 -255.817
504 Cu72Ar 0.009 -0.043 vasp 1b -252.163 110 -252.163
505 Cu72H 0.009 -1.905 vasp 0t -255.116 110 -255.116
506 Cu72He 0.010 -0.029 vasp 0t -252.122 110 -252.122
507 Cu72Li 0.010 -1.785 vasp 0t -254.178 110 -254.178
508 BeCu72 0.009 -1.340 vasp 0t -253.474 110 -253.474
509 Cu72B 0.010 -2.695 vasp 0t -255.137 110 -255.137
510 Cu72C 0.010 -2.924 vasp 0t -256.266 110 -256.266
511 Cu72N 0.010 -1.624 vasp 0t -256.842 110 -256.842
512 Cu72O 0.009 -3.458 vasp 0t -257.085 110 -257.085
513 Cu72F 0.009 -4.073 vasp 0t -256.591 110 -256.591
514 Cu72Ne 0.010 -0.032 vasp 0t -252.138 110 -252.138
515 Cu72Na 0.010 -1.541 vasp 0t -253.859 110 -253.859
516 Cu72Mg 0.009 -0.965 vasp 0t -253.063 110 -253.063
517 AlCu72 0.010 -2.343 vasp 0t -254.732 110 -254.732
518 Cu72Si 0.010 -2.880 vasp 0t -255.804 110 -255.804
519 Cu72P 0.010 -2.325 vasp 0t -256.307 110 -256.307
520 Cu72S 0.009 -3.255 vasp 0t -256.293 110 -256.293
521 Cu72Cl 0.009 -3.237 vasp 0t -255.574 110 -255.574
522 Cu72Ar 0.010 -0.028 vasp 0t -252.148 110 -252.148
523 Cu54H 0.007 -2.559 vasp 2h -196.524 111 -196.524
524 Cu54He 0.007 -0.002 vasp 2h -192.846 111 -192.846
525 Cu54Li 0.008 -2.334 vasp 2h -195.478 111 -195.478