ASE database

Displaying rows 501-8 out of 8

↓ ID ✕	Formula ✕	Volume ✕	Calculator ✕	str_E ✕	Maximum stress ✕	Dipole_val ✕	atom_E ✕	Username ✕	Maximum force ✕
501	Cu₇₂P	2163.104	vasp	-258.140	0.009	0.631	-1.888	hecc	0.007
502	Cu₇₂S	2163.104	vasp	-257.602	0.008	0.628	-0.945	hecc	0.005
503	Cu₇₂Cl	2163.104	vasp	-255.817	0.009	1.060	-0.243	hecc	0.009
504	Cu₇₂Ar	2163.104	vasp	-252.163	0.009	-0.061	-0.025	hecc	0.011
505	Cu₇₂H	2163.104	vasp	-255.116	0.009	0.728	-1.117	hecc	0.006
506	Cu₇₂He	2163.104	vasp	-252.122	0.010	-0.030	0.002	hecc	0.009
507	Cu₇₂Li	2163.104	vasp	-254.178	0.010	-4.654	-0.299	hecc	0.004
508	BeCu₇₂	2163.104	vasp	-253.474	0.009	-0.984	-0.039	hecc	0.013
509	Cu₇₂B	2163.104	vasp	-255.137	0.010	0.649	-0.349	hecc	0.008
510	Cu₇₂C	2163.104	vasp	-256.266	0.010	1.506	-1.248	hecc	0.010
511	Cu₇₂N	2163.104	vasp	-256.842	0.010	2.125	-3.124	hecc	0.009
512	Cu₇₂O	2163.104	vasp	-257.085	0.009	2.704	-1.533	hecc	0.007
513	Cu₇₂F	2163.104	vasp	-256.591	0.009	2.758	-0.424	hecc	0.010
514	Cu₇₂Ne	2163.104	vasp	-252.138	0.010	-0.029	-0.013	hecc	0.007
515	Cu₇₂Na	2163.104	vasp	-253.859	0.010	-5.698	-0.225	hecc	0.009
516	Cu₇₂Mg	2163.104	vasp	-253.063	0.009	-2.721	-0.004	hecc	0.006
517	AlCu₇₂	2163.104	vasp	-254.732	0.010	-1.130	-0.295	hecc	0.010
518	Cu₇₂Si	2163.104	vasp	-255.804	0.010	0.302	-0.830	hecc	0.013
519	Cu₇₂P	2163.104	vasp	-256.307	0.010	1.317	-1.888	hecc	0.008
520	Cu₇₂S	2163.104	vasp	-256.293	0.009	2.164	-0.945	hecc	0.009
521	Cu₇₂Cl	2163.104	vasp	-255.574	0.009	2.539	-0.243	hecc	0.006
522	Cu₇₂Ar	2163.104	vasp	-252.148	0.010	-0.149	-0.025	hecc	0.008
523	Cu₅₄H	1730.483	vasp	-196.524	0.007	0.013	-1.120	hecc	0.005
524	Cu₅₄He	1730.483	vasp	-192.846	0.007	-0.021	0.002	hecc	0.010
525	Cu₅₄Li	1730.483	vasp	-195.478	0.008	-3.352	-0.299	hecc	0.006