ASE database

Displaying rows 51-8 out of 8

Formula ✕	Mass ✕	Calculator ✕	distance ✕	Energy ✕	PBC ✕	ads_E ✕
Au₅₄P	10667.168	vasp	2.068	-168.614	TTT	-1.663
Au₅₄S	10668.255	vasp	2.223	-168.287	TTT	-2.279
Au₅₄Cl	10671.645	vasp	2.348	-167.708	TTT	-2.402
Au₅₄Ar	10676.143	vasp	3.732	-165.092	TTT	-0.003
Au₇₂H	14182.601	vasp	0.550	-221.327	TTT	-1.683
Au₇₂He	14185.596	vasp	3.257	-218.530	TTT	-0.005
Au₇₂Li	14188.533	vasp	1.239	-221.779	TTT	-2.954
Au₇₂Be	14190.605	vasp	0.506	-222.351	TTT	-3.785
Au₇₂B	14192.403	vasp	0.212	-223.965	TTT	-5.089
Au₇₂C	14193.604	vasp	0.153	-224.158	TTT	-4.383
Au₇₂N	14195.600	vasp	0.283	-223.660	TTT	-2.009
Au₇₂O	14197.592	vasp	0.490	-223.013	TTT	-2.954
Au₇₂F	14200.591	vasp	1.058	-221.958	TTT	-3.008
Au₇₂Ne	14201.773	vasp	3.091	-218.548	TTT	-0.008
Au₇₂Na	14204.583	vasp	1.723	-221.255	TTT	-2.503
Au₇₂Mg	14205.898	vasp	1.112	-221.237	TTT	-2.706
AlAu₇₂	14208.575	vasp	0.784	-223.165	TTT	-4.343
Au₇₂Si	14209.678	vasp	0.676	-224.334	TTT	-4.977
Au₇₂P	14212.567	vasp	0.689	-224.246	TTT	-3.831
Au₇₂S	14213.653	vasp	0.863	-222.981	TTT	-3.509
Au₇₂Cl	14217.043	vasp	1.609	-221.174	TTT	-2.405
Au₇₂Ar	14221.541	vasp	3.253	-218.555	TTT	-0.002
Au₇₂H	14182.601	vasp	0.625	-221.601	TTT	-1.957
Au₇₂He	14185.596	vasp	3.259	-218.530	TTT	-0.005
Au₇₂Li	14188.533	vasp	1.284	-221.672	TTT	-2.846