ASE database

Displaying rows 501-31 out of 31
Formula ✕ atom_E ✕ distance ✕ Energy ✕ Dipole_val ✕ ads_E ✕ Volume ✕ plane_index ✕ PBC ✕ Mass ✕
Cu72P -1.888 0.877 -258.140 0.631 -4.158 2163.104 110 TTT 4606.286
Cu72S -0.945 0.983 -257.602 0.628 -4.563 2163.104 110 TTT 4607.372
Cu72Cl -0.243 1.583 -255.817 1.060 -3.480 2163.104 110 TTT 4610.762
Cu72Ar -0.025 3.561 -252.163 -0.061 -0.043 2163.104 110 TTT 4615.260
Cu72H -1.117 1.515 -255.116 0.728 -1.905 2163.104 110 TTT 4576.320
Cu72He 0.002 3.582 -252.122 -0.030 -0.029 2163.104 110 TTT 4579.315
Cu72Li -0.299 2.095 -254.178 -4.654 -1.785 2163.104 110 TTT 4582.252
BeCu72 -0.039 1.719 -253.474 -0.984 -1.340 2163.104 110 TTT 4584.324
Cu72B -0.349 1.699 -255.137 0.649 -2.695 2163.104 110 TTT 4586.122
Cu72C -1.248 1.526 -256.266 1.506 -2.924 2163.104 110 TTT 4587.323
Cu72N -3.124 1.504 -256.842 2.125 -1.624 2163.104 110 TTT 4589.319
Cu72O -1.533 1.636 -257.085 2.704 -3.458 2163.104 110 TTT 4591.311
Cu72F -0.424 1.828 -256.591 2.758 -4.073 2163.104 110 TTT 4594.310
Cu72Ne -0.013 3.441 -252.138 -0.029 -0.032 2163.104 110 TTT 4595.492
Cu72Na -0.225 2.422 -253.859 -5.698 -1.541 2163.104 110 TTT 4598.302
Cu72Mg -0.004 2.196 -253.063 -2.721 -0.965 2163.104 110 TTT 4599.617
AlCu72 -0.295 2.110 -254.732 -1.130 -2.343 2163.104 110 TTT 4602.294
Cu72Si -0.830 1.718 -255.804 0.302 -2.880 2163.104 110 TTT 4603.397
Cu72P -1.888 1.495 -256.307 1.317 -2.325 2163.104 110 TTT 4606.286
Cu72S -0.945 1.748 -256.293 2.164 -3.255 2163.104 110 TTT 4607.372
Cu72Cl -0.243 2.147 -255.574 2.539 -3.237 2163.104 110 TTT 4610.762
Cu72Ar -0.025 3.547 -252.148 -0.149 -0.028 2163.104 110 TTT 4615.260
Cu54H -1.120 0.915 -196.524 0.013 -2.559 1730.483 111 TTT 3432.492
Cu54He 0.002 3.701 -192.846 -0.021 -0.002 1730.483 111 TTT 3435.487
Cu54Li -0.299 2.029 -195.478 -3.352 -2.334 1730.483 111 TTT 3438.424