ASE database

Displaying rows 501-8 out of 8

Formula ✕	ads_E ✕	Maximum stress ✕	Number of atoms ✕	str_E ✕	Calculator ✕	Dipole_val ✕
Cu₇₂P	-4.158	0.009	73	-258.140	vasp	0.631
Cu₇₂S	-4.563	0.008	73	-257.602	vasp	0.628
Cu₇₂Cl	-3.480	0.009	73	-255.817	vasp	1.060
Cu₇₂Ar	-0.043	0.009	73	-252.163	vasp	-0.061
Cu₇₂H	-1.905	0.009	73	-255.116	vasp	0.728
Cu₇₂He	-0.029	0.010	73	-252.122	vasp	-0.030
Cu₇₂Li	-1.785	0.010	73	-254.178	vasp	-4.654
BeCu₇₂	-1.340	0.009	73	-253.474	vasp	-0.984
Cu₇₂B	-2.695	0.010	73	-255.137	vasp	0.649
Cu₇₂C	-2.924	0.010	73	-256.266	vasp	1.506
Cu₇₂N	-1.624	0.010	73	-256.842	vasp	2.125
Cu₇₂O	-3.458	0.009	73	-257.085	vasp	2.704
Cu₇₂F	-4.073	0.009	73	-256.591	vasp	2.758
Cu₇₂Ne	-0.032	0.010	73	-252.138	vasp	-0.029
Cu₇₂Na	-1.541	0.010	73	-253.859	vasp	-5.698
Cu₇₂Mg	-0.965	0.009	73	-253.063	vasp	-2.721
AlCu₇₂	-2.343	0.010	73	-254.732	vasp	-1.130
Cu₇₂Si	-2.880	0.010	73	-255.804	vasp	0.302
Cu₇₂P	-2.325	0.010	73	-256.307	vasp	1.317
Cu₇₂S	-3.255	0.009	73	-256.293	vasp	2.164
Cu₇₂Cl	-3.237	0.009	73	-255.574	vasp	2.539
Cu₇₂Ar	-0.028	0.010	73	-252.148	vasp	-0.149
Cu₅₄H	-2.559	0.007	55	-196.524	vasp	0.013
Cu₅₄He	-0.002	0.007	55	-192.846	vasp	-0.021
Cu₅₄Li	-2.334	0.008	55	-195.478	vasp	-3.352