ASE database

Displaying rows 76-8 out of 8

Formula ✕	ads_E ✕	Maximum stress ✕	Number of atoms ✕	str_E ✕	Calculator ✕	Dipole_val ✕
Au₇₂Be	-3.681	0.013	73	-222.247	vasp	-0.299
Au₇₂B	-5.161	0.012	73	-224.037	vasp	0.021
Au₇₂C	-4.581	0.011	73	-224.356	vasp	0.079
Au₇₂N	-1.930	0.012	73	-223.581	vasp	0.957
Au₇₂O	-3.169	0.012	73	-223.229	vasp	1.357
Au₇₂F	-3.294	0.012	73	-222.245	vasp	1.379
Au₇₂Ne	-0.009	0.013	73	-218.548	vasp	-0.009
Au₇₂Na	-2.393	0.014	73	-221.145	vasp	-3.991
Au₇₂Mg	-2.455	0.013	73	-220.986	vasp	-2.085
AlAu₇₂	-4.039	0.013	73	-222.861	vasp	-0.667
Au₇₂Si	-4.598	0.013	73	-223.955	vasp	-0.217
Au₇₂P	-3.429	0.012	73	-223.843	vasp	-0.015
Au₇₂S	-3.435	0.012	73	-222.907	vasp	0.997
Au₇₂Cl	-2.727	0.012	73	-221.497	vasp	1.110
Au₇₂Ar	0.000	0.013	73	-218.552	vasp	-0.110
Au₇₂H	-2.313	0.013	73	-221.957	vasp	0.080
Au₇₂He	-0.005	0.013	73	-218.530	vasp	-0.023
Au₇₂Li	-2.432	0.014	73	-221.258	vasp	-4.421
Au₇₂Be	-3.432	0.012	73	-221.998	vasp	-1.284
Au₇₂B	-5.288	0.012	73	-224.163	vasp	-0.273
Au₇₂C	-4.339	0.012	73	-224.114	vasp	0.571
Au₇₂N	-2.263	0.013	73	-223.914	vasp	1.173
Au₇₂O	-3.463	0.013	73	-223.523	vasp	1.637
Au₇₂F	-3.451	0.013	73	-222.402	vasp	1.741
Au₇₂Ne	-0.007	0.013	73	-218.547	vasp	-0.015