ASE database

ID Formula Dipole_val Maximum stress Magnetic moment plane_index ads_E Mass distance
476 Cu72O 1.890 0.008 0.000 110 -4.736 4591.311 1.186
477 Cu72F 1.591 0.009 0.000 110 -4.529 4594.310 1.458
478 Cu72Ne -0.016 0.009 -0.000 110 -0.045 4595.492 3.512
479 Cu72Na -5.565 0.009 -0.000 110 -1.591 4598.302 2.401
480 Cu72Mg -2.698 0.009 -0.000 110 -1.126 4599.617 2.123
481 AlCu72 -0.852 0.009 0.000 110 -2.578 4602.294 1.951
482 Cu72Si 0.401 0.008 0.000 110 -3.371 4603.397 1.698
483 Cu72P 1.385 0.008 -0.000 110 -3.109 4606.286 1.627
484 Cu72S 1.900 0.008 0.000 110 -4.158 4607.372 1.661
485 Cu72Cl 1.457 0.008 0.000 110 -3.657 4610.762 1.846
486 Cu72Ar -0.147 0.010 -0.000 110 -0.038 4615.260 3.514
487 Cu72H -0.111 0.009 -0.000 110 -2.401 4576.320 0.191
488 Cu72He -0.015 0.009 -0.000 110 -0.043 4579.315 3.595
489 Cu72Li -2.438 0.009 -0.000 110 -2.330 4582.252 1.442
490 BeCu72 -0.095 0.009 0.000 110 -3.075 4584.324 0.695
491 Cu72B 0.372 0.008 0.000 110 -5.048 4586.122 0.325
492 Cu72C 0.376 0.008 0.000 110 -5.556 4587.323 0.191
493 Cu72N 0.377 0.008 0.000 110 -3.937 4589.319 0.231
494 Cu72O 0.408 0.008 -0.000 110 -4.906 4591.311 0.415
495 Cu72F 1.134 0.008 -0.000 110 -4.275 4594.310 1.175
496 Cu72Ne -0.006 0.009 0.000 110 -0.046 4595.492 3.329
497 Cu72Na -4.075 0.009 -0.000 110 -1.908 4598.302 1.923
498 Cu72Mg -1.810 0.009 0.000 110 -1.829 4599.617 1.356
499 AlCu72 -0.206 0.009 -0.000 110 -3.511 4602.294 1.032
500 Cu72Si 0.444 0.009 0.000 110 -4.557 4603.397 0.849