ASE database

Formula distance Energy Number of atoms PBC Mass atom_E
Cu72P 0.877 -258.140 73 TTT 4606.286 -1.888
Cu72S 0.983 -257.602 73 TTT 4607.372 -0.945
Cu72Cl 1.583 -255.817 73 TTT 4610.762 -0.243
Cu72Ar 3.561 -252.163 73 TTT 4615.260 -0.025
Cu72H 1.515 -255.116 73 TTT 4576.320 -1.117
Cu72He 3.582 -252.122 73 TTT 4579.315 0.002
Cu72Li 2.095 -254.178 73 TTT 4582.252 -0.299
BeCu72 1.719 -253.474 73 TTT 4584.324 -0.039
Cu72B 1.699 -255.137 73 TTT 4586.122 -0.349
Cu72C 1.526 -256.266 73 TTT 4587.323 -1.248
Cu72N 1.504 -256.842 73 TTT 4589.319 -3.124
Cu72O 1.636 -257.085 73 TTT 4591.311 -1.533
Cu72F 1.828 -256.591 73 TTT 4594.310 -0.424
Cu72Ne 3.441 -252.138 73 TTT 4595.492 -0.013
Cu72Na 2.422 -253.859 73 TTT 4598.302 -0.225
Cu72Mg 2.196 -253.063 73 TTT 4599.617 -0.004
AlCu72 2.110 -254.732 73 TTT 4602.294 -0.295
Cu72Si 1.718 -255.804 73 TTT 4603.397 -0.830
Cu72P 1.495 -256.307 73 TTT 4606.286 -1.888
Cu72S 1.748 -256.293 73 TTT 4607.372 -0.945
Cu72Cl 2.147 -255.574 73 TTT 4610.762 -0.243
Cu72Ar 3.547 -252.148 73 TTT 4615.260 -0.025
Cu54H 0.915 -196.524 55 TTT 3432.492 -1.120
Cu54He 3.701 -192.846 55 TTT 3435.487 0.002
Cu54Li 2.029 -195.478 55 TTT 3438.424 -0.299