ASE database

Displaying rows 1-8 out of 8

Formula ✕	PBC ✕	Mass ✕	Calculator ✕	Maximum force ✕	Energy ✕	ads_site ✕	atom_E ✕
Au₅₄H	TTT	10637.203	vasp	0.008	-168.070	2f	-1.117
Au₅₄He	TTT	10640.197	vasp	0.006	-165.069	2f	0.002
Au₅₄Li	TTT	10643.135	vasp	0.008	-168.230	2f	-0.299
Au₅₄Be	TTT	10645.207	vasp	0.008	-169.147	2f	-0.039
Au₅₄B	TTT	10647.005	vasp	0.008	-171.055	2f	-0.349
Au₅₄C	TTT	10648.206	vasp	0.009	-171.207	2f	-1.248
Au₅₄N	TTT	10650.202	vasp	0.008	-170.577	2f	-3.124
Au₅₄O	TTT	10652.194	vasp	0.009	-169.926	2f	-1.533
Au₅₄F	TTT	10655.193	vasp	0.005	-168.695	2f	-0.424
Au₅₄Ne	TTT	10656.374	vasp	0.010	-165.085	2f	-0.013
Au₅₄Na	TTT	10659.184	vasp	0.005	-167.652	2f	-0.225
Au₅₄Mg	TTT	10660.500	vasp	0.010	-167.509	2f	-0.004
AlAu₅₄	TTT	10663.176	vasp	0.010	-169.611	2f	-0.295
Au₅₄Si	TTT	10664.280	vasp	0.006	-170.944	2f	-0.830
Au₅₄P	TTT	10667.168	vasp	0.006	-171.031	2f	-1.888
Au₅₄S	TTT	10668.255	vasp	0.007	-169.906	2f	-0.945
Au₅₄Cl	TTT	10671.645	vasp	0.010	-167.868	2f	-0.243
Au₅₄Ar	TTT	10676.143	vasp	0.006	-165.095	2f	-0.025
Au₅₄H	TTT	10637.203	vasp	0.010	-168.428	1b	-1.117
Au₅₄He	TTT	10640.197	vasp	0.009	-165.069	1b	0.002
Au₅₄Li	TTT	10643.135	vasp	0.009	-167.904	1b	-0.299
Au₅₄Be	TTT	10645.207	vasp	0.009	-167.816	1b	-0.039
Au₅₄B	TTT	10647.005	vasp	0.009	-169.754	1b	-0.349
Au₅₄C	TTT	10648.206	vasp	0.006	-170.497	1b	-1.248
Au₅₄N	TTT	10650.202	vasp	0.010	-170.360	1b	-3.124