ASE database

ID Formula slab_E atom_E PBC Mass plane_index Calculator
501 Cu72P -252.094 -1.888 TTT 4606.286 110 vasp
502 Cu72S -252.094 -0.945 TTT 4607.372 110 vasp
503 Cu72Cl -252.094 -0.243 TTT 4610.762 110 vasp
504 Cu72Ar -252.094 -0.025 TTT 4615.260 110 vasp
505 Cu72H -252.094 -1.117 TTT 4576.320 110 vasp
506 Cu72He -252.094 0.002 TTT 4579.315 110 vasp
507 Cu72Li -252.094 -0.299 TTT 4582.252 110 vasp
508 BeCu72 -252.094 -0.039 TTT 4584.324 110 vasp
509 Cu72B -252.094 -0.349 TTT 4586.122 110 vasp
510 Cu72C -252.094 -1.248 TTT 4587.323 110 vasp
511 Cu72N -252.094 -3.124 TTT 4589.319 110 vasp
512 Cu72O -252.094 -1.533 TTT 4591.311 110 vasp
513 Cu72F -252.094 -0.424 TTT 4594.310 110 vasp
514 Cu72Ne -252.094 -0.013 TTT 4595.492 110 vasp
515 Cu72Na -252.094 -0.225 TTT 4598.302 110 vasp
516 Cu72Mg -252.094 -0.004 TTT 4599.617 110 vasp
517 AlCu72 -252.094 -0.295 TTT 4602.294 110 vasp
518 Cu72Si -252.094 -0.830 TTT 4603.397 110 vasp
519 Cu72P -252.094 -1.888 TTT 4606.286 110 vasp
520 Cu72S -252.094 -0.945 TTT 4607.372 110 vasp
521 Cu72Cl -252.094 -0.243 TTT 4610.762 110 vasp
522 Cu72Ar -252.094 -0.025 TTT 4615.260 110 vasp
523 Cu54H -192.845 -1.120 TTT 3432.492 111 vasp
524 Cu54He -192.845 0.002 TTT 3435.487 111 vasp
525 Cu54Li -192.845 -0.299 TTT 3438.424 111 vasp