ASE database

Displaying rows 1-25 out of 594

Formula ✕	Energy ✕	Number of atoms ✕	atom_E ✕	str_E ✕	Maximum force ✕
Au₅₄H	-168.070	55	-1.117	-168.070	0.008
Au₅₄He	-165.069	55	0.002	-165.069	0.006
Au₅₄Li	-168.230	55	-0.299	-168.230	0.008
Au₅₄Be	-169.147	55	-0.039	-169.147	0.008
Au₅₄B	-171.055	55	-0.349	-171.055	0.008
Au₅₄C	-171.207	55	-1.248	-171.207	0.009
Au₅₄N	-170.577	55	-3.124	-170.577	0.008
Au₅₄O	-169.926	55	-1.533	-169.926	0.009
Au₅₄F	-168.695	55	-0.424	-168.695	0.005
Au₅₄Ne	-165.085	55	-0.013	-165.085	0.010
Au₅₄Na	-167.652	55	-0.225	-167.652	0.005
Au₅₄Mg	-167.509	55	-0.004	-167.509	0.010
AlAu₅₄	-169.611	55	-0.295	-169.611	0.010
Au₅₄Si	-170.944	55	-0.830	-170.944	0.006
Au₅₄P	-171.031	55	-1.888	-171.031	0.006
Au₅₄S	-169.906	55	-0.945	-169.906	0.007
Au₅₄Cl	-167.868	55	-0.243	-167.868	0.010
Au₅₄Ar	-165.095	55	-0.025	-165.095	0.006
Au₅₄H	-168.428	55	-1.117	-168.428	0.010
Au₅₄He	-165.069	55	0.002	-165.069	0.009
Au₅₄Li	-167.904	55	-0.299	-167.904	0.009
Au₅₄Be	-167.816	55	-0.039	-167.816	0.009
Au₅₄B	-169.754	55	-0.349	-169.754	0.009
Au₅₄C	-170.497	55	-1.248	-170.497	0.006
Au₅₄N	-170.360	55	-3.124	-170.360	0.010

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