ASE database

Displaying rows 1-8 out of 8

Formula ✕	Mass ✕	str_E ✕	Maximum force ✕	Dipole_val ✕	Username ✕	ads_E ✕	Calculator ✕
Au₅₄H	10637.203	-168.070	0.008	-0.123	hecc	-1.889	vasp
Au₅₄He	10640.197	-165.069	0.006	-0.011	hecc	-0.007	vasp
Au₅₄Li	10643.135	-168.230	0.008	-2.696	hecc	-2.868	vasp
Au₅₄Be	10645.207	-169.147	0.008	-0.238	hecc	-4.044	vasp
Au₅₄B	10647.005	-171.055	0.008	-0.022	hecc	-5.643	vasp
Au₅₄C	10648.206	-171.207	0.009	0.044	hecc	-4.895	vasp
Au₅₄N	10650.202	-170.577	0.008	0.360	hecc	-2.390	vasp
Au₅₄O	10652.194	-169.926	0.009	0.594	hecc	-3.329	vasp
Au₅₄F	10655.193	-168.695	0.005	1.029	hecc	-3.208	vasp
Au₅₄Ne	10656.374	-165.085	0.010	-0.012	hecc	-0.009	vasp
Au₅₄Na	10659.184	-167.652	0.005	-4.669	hecc	-2.363	vasp
Au₅₄Mg	10660.500	-167.509	0.010	-2.555	hecc	-2.441	vasp
AlAu₅₄	10663.176	-169.611	0.010	-0.805	hecc	-4.253	vasp
Au₅₄Si	10664.280	-170.944	0.006	-0.276	hecc	-5.051	vasp
Au₅₄P	10667.168	-171.031	0.006	0.008	hecc	-4.079	vasp
Au₅₄S	10668.255	-169.906	0.007	0.191	hecc	-3.898	vasp
Au₅₄Cl	10671.645	-167.868	0.010	0.752	hecc	-2.562	vasp
Au₅₄Ar	10676.143	-165.095	0.006	-0.077	hecc	-0.005	vasp
Au₅₄H	10637.203	-168.428	0.010	-0.004	hecc	-2.247	vasp
Au₅₄He	10640.197	-165.069	0.009	-0.017	hecc	-0.007	vasp
Au₅₄Li	10643.135	-167.904	0.009	-3.955	hecc	-2.541	vasp
Au₅₄Be	10645.207	-167.816	0.009	-1.093	hecc	-2.713	vasp
Au₅₄B	10647.005	-169.754	0.009	-0.008	hecc	-4.341	vasp
Au₅₄C	10648.206	-170.497	0.006	0.475	hecc	-4.185	vasp
Au₅₄N	10650.202	-170.360	0.010	0.930	hecc	-2.172	vasp