ASE database

ID Formula Dipole_val ads_E Maximum stress Volume
401 Cu54B 0.558 -5.472 0.008 1730.483
402 Cu54C 0.431 -6.254 0.008 1730.483
403 Cu54N 0.356 -4.599 0.007 1730.483
404 Cu54O 0.473 -5.385 0.009 1730.483
405 Cu54F 0.677 -4.264 0.009 1730.483
406 Cu54Ne -0.014 0.022 0.009 1730.483
407 Cu54Na -4.428 -1.789 0.009 1730.483
408 Cu54Mg -2.041 -1.648 0.009 1730.483
409 AlCu54 -0.448 -3.383 0.008 1730.483
410 Cu54Si 0.438 -4.613 0.008 1730.483
411 Cu54P 0.780 -4.467 0.008 1730.483
412 Cu54S 0.657 -5.035 0.008 1730.483
413 Cu54Cl 0.394 -3.478 0.009 1730.483
414 Cu54Ar -0.049 0.020 0.009 1730.483
415 Cu54H 0.528 -1.807 0.009 1730.483
416 Cu54He -0.017 0.026 0.010 1730.483
417 Cu54Li -3.826 -1.935 0.009 1730.483
418 BeCu54 -0.602 -1.588 0.010 1730.483
419 Cu54B 0.679 -2.910 0.010 1730.483
420 Cu54C 1.206 -3.129 0.010 1730.483
421 Cu54N 1.644 -1.683 0.009 1730.483
422 Cu54O 2.164 -3.336 0.009 1730.483
423 Cu54F 2.343 -3.866 0.009 1730.483
424 Cu54Ne -0.022 0.022 0.009 1730.483
425 Cu54Na 0.067 -1.622 0.009 1730.483