ASE database

Displaying rows 76-100 out of 594

↓ ID ✕	Formula ✕	Energy ✕	Maximum stress ✕	Dipole_val ✕	ads_site ✕	PBC ✕	Maximum force ✕
76	Au₇₂Be	-222.247	0.013	-0.299	3b	TTT	0.009
77	Au₇₂B	-224.037	0.012	0.021	3b	TTT	0.006
78	Au₇₂C	-224.356	0.011	0.079	3b	TTT	0.007
79	Au₇₂N	-223.581	0.012	0.957	3b	TTT	0.009
80	Au₇₂O	-223.229	0.012	1.357	3b	TTT	0.010
81	Au₇₂F	-222.245	0.012	1.379	3b	TTT	0.009
82	Au₇₂Ne	-218.548	0.013	-0.009	3b	TTT	0.007
83	Au₇₂Na	-221.145	0.014	-3.991	3b	TTT	0.004
84	Au₇₂Mg	-220.986	0.013	-2.085	3b	TTT	0.005
85	AlAu₇₂	-222.861	0.013	-0.667	3b	TTT	0.006
86	Au₇₂Si	-223.955	0.013	-0.217	3b	TTT	0.009
87	Au₇₂P	-223.843	0.012	-0.015	3b	TTT	0.007
88	Au₇₂S	-222.907	0.012	0.997	3b	TTT	0.009
89	Au₇₂Cl	-221.497	0.012	1.110	3b	TTT	0.010
90	Au₇₂Ar	-218.552	0.013	-0.110	3b	TTT	0.006
91	Au₇₂H	-221.957	0.013	0.080	1b	TTT	0.008
92	Au₇₂He	-218.530	0.013	-0.023	1b	TTT	0.009
93	Au₇₂Li	-221.258	0.014	-4.421	1b	TTT	0.009
94	Au₇₂Be	-221.998	0.012	-1.284	1b	TTT	0.006
95	Au₇₂B	-224.163	0.012	-0.273	1b	TTT	0.007
96	Au₇₂C	-224.114	0.012	0.571	1b	TTT	0.009
97	Au₇₂N	-223.914	0.013	1.173	1b	TTT	0.010
98	Au₇₂O	-223.523	0.013	1.637	1b	TTT	0.010
99	Au₇₂F	-222.402	0.013	1.741	1b	TTT	0.009
100	Au₇₂Ne	-218.547	0.013	-0.015	1b	TTT	0.007

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