ASE database

ID Formula atom_E Maximum stress Calculator Mass PBC
476 Cu72O -1.533 0.008 vasp 4591.311 TTT
477 Cu72F -0.424 0.009 vasp 4594.310 TTT
478 Cu72Ne -0.013 0.009 vasp 4595.492 TTT
479 Cu72Na -0.225 0.009 vasp 4598.302 TTT
480 Cu72Mg -0.004 0.009 vasp 4599.617 TTT
481 AlCu72 -0.295 0.009 vasp 4602.294 TTT
482 Cu72Si -0.830 0.008 vasp 4603.397 TTT
483 Cu72P -1.888 0.008 vasp 4606.286 TTT
484 Cu72S -0.945 0.008 vasp 4607.372 TTT
485 Cu72Cl -0.243 0.008 vasp 4610.762 TTT
486 Cu72Ar -0.025 0.010 vasp 4615.260 TTT
487 Cu72H -1.117 0.009 vasp 4576.320 TTT
488 Cu72He 0.002 0.009 vasp 4579.315 TTT
489 Cu72Li -0.299 0.009 vasp 4582.252 TTT
490 BeCu72 -0.039 0.009 vasp 4584.324 TTT
491 Cu72B -0.349 0.008 vasp 4586.122 TTT
492 Cu72C -1.248 0.008 vasp 4587.323 TTT
493 Cu72N -3.124 0.008 vasp 4589.319 TTT
494 Cu72O -1.533 0.008 vasp 4591.311 TTT
495 Cu72F -0.424 0.008 vasp 4594.310 TTT
496 Cu72Ne -0.013 0.009 vasp 4595.492 TTT
497 Cu72Na -0.225 0.009 vasp 4598.302 TTT
498 Cu72Mg -0.004 0.009 vasp 4599.617 TTT
499 AlCu72 -0.295 0.009 vasp 4602.294 TTT
500 Cu72Si -0.830 0.009 vasp 4603.397 TTT