ASE database

Displaying rows 501-525 out of 594
↓ ID ✕ Formula ✕ Volume ✕ atom_E ✕ Number of atoms ✕ Age ✕ distance ✕ Maximum stress ✕ Dipole_val ✕ Maximum force ✕ Energy ✕ slab_E ✕ Charge ✕ plane_index ✕ PBC ✕ ads_site ✕ Mass ✕ Username ✕
501 Cu72P 2163.104 -1.888 73 13M 0.877 0.009 0.631 0.007 -258.140 -252.094 0.000 110 TTT 1b 4606.286 hecc
502 Cu72S 2163.104 -0.945 73 13M 0.983 0.008 0.628 0.005 -257.602 -252.094 0.000 110 TTT 1b 4607.372 hecc
503 Cu72Cl 2163.104 -0.243 73 13M 1.583 0.009 1.060 0.009 -255.817 -252.094 0.000 110 TTT 1b 4610.762 hecc
504 Cu72Ar 2163.104 -0.025 73 13M 3.561 0.009 -0.061 0.011 -252.163 -252.094 0.000 110 TTT 1b 4615.260 hecc
505 Cu72H 2163.104 -1.117 73 13M 1.515 0.009 0.728 0.006 -255.116 -252.094 0.000 110 TTT 0t 4576.320 hecc
506 Cu72He 2163.104 0.002 73 13M 3.582 0.010 -0.030 0.009 -252.122 -252.094 0.000 110 TTT 0t 4579.315 hecc
507 Cu72Li 2163.104 -0.299 73 13M 2.095 0.010 -4.654 0.004 -254.178 -252.094 0.000 110 TTT 0t 4582.252 hecc
508 BeCu72 2163.104 -0.039 73 13M 1.719 0.009 -0.984 0.013 -253.474 -252.094 0.000 110 TTT 0t 4584.324 hecc
509 Cu72B 2163.104 -0.349 73 13M 1.699 0.010 0.649 0.008 -255.137 -252.094 0.000 110 TTT 0t 4586.122 hecc
510 Cu72C 2163.104 -1.248 73 13M 1.526 0.010 1.506 0.010 -256.266 -252.094 0.000 110 TTT 0t 4587.323 hecc
511 Cu72N 2163.104 -3.124 73 13M 1.504 0.010 2.125 0.009 -256.842 -252.094 0.000 110 TTT 0t 4589.319 hecc
512 Cu72O 2163.104 -1.533 73 13M 1.636 0.009 2.704 0.007 -257.085 -252.094 0.000 110 TTT 0t 4591.311 hecc
513 Cu72F 2163.104 -0.424 73 13M 1.828 0.009 2.758 0.010 -256.591 -252.094 0.000 110 TTT 0t 4594.310 hecc
514 Cu72Ne 2163.104 -0.013 73 13M 3.441 0.010 -0.029 0.007 -252.138 -252.094 0.000 110 TTT 0t 4595.492 hecc
515 Cu72Na 2163.104 -0.225 73 13M 2.422 0.010 -5.698 0.009 -253.859 -252.094 0.000 110 TTT 0t 4598.302 hecc
516 Cu72Mg 2163.104 -0.004 73 13M 2.196 0.009 -2.721 0.006 -253.063 -252.094 0.000 110 TTT 0t 4599.617 hecc
517 AlCu72 2163.104 -0.295 73 13M 2.110 0.010 -1.130 0.010 -254.732 -252.094 0.000 110 TTT 0t 4602.294 hecc
518 Cu72Si 2163.104 -0.830 73 13M 1.718 0.010 0.302 0.013 -255.804 -252.094 0.000 110 TTT 0t 4603.397 hecc
519 Cu72P 2163.104 -1.888 73 13M 1.495 0.010 1.317 0.008 -256.307 -252.094 0.000 110 TTT 0t 4606.286 hecc
520 Cu72S 2163.104 -0.945 73 13M 1.748 0.009 2.164 0.009 -256.293 -252.094 0.000 110 TTT 0t 4607.372 hecc
521 Cu72Cl 2163.104 -0.243 73 13M 2.147 0.009 2.539 0.006 -255.574 -252.094 0.000 110 TTT 0t 4610.762 hecc
522 Cu72Ar 2163.104 -0.025 73 13M 3.547 0.010 -0.149 0.008 -252.148 -252.094 0.000 110 TTT 0t 4615.260 hecc
523 Cu54H 1730.483 -1.120 55 13M 0.915 0.007 0.013 0.005 -196.524 -192.845 0.000 111 TTT 2h 3432.492 hecc
524 Cu54He 1730.483 0.002 55 13M 3.701 0.007 -0.021 0.010 -192.846 -192.845 0.000 111 TTT 2h 3435.487 hecc
525 Cu54Li 1730.483 -0.299 55 13M 2.029 0.008 -3.352 0.006 -195.478 -192.845 0.000 111 TTT 2h 3438.424 hecc