ASE database

Displaying rows 76-31 out of 31
↓ ID ✕ Formula ✕ Username ✕ Maximum stress ✕ Magnetic moment ✕ Dipole_val ✕ PBC ✕ Maximum force ✕ Number of atoms ✕
76 Au72Be hecc 0.013 0.000 -0.299 TTT 0.009 73
77 Au72B hecc 0.012 0.000 0.021 TTT 0.006 73
78 Au72C hecc 0.011 0.000 0.079 TTT 0.007 73
79 Au72N hecc 0.012 0.000 0.957 TTT 0.009 73
80 Au72O hecc 0.012 -0.000 1.357 TTT 0.010 73
81 Au72F hecc 0.012 0.000 1.379 TTT 0.009 73
82 Au72Ne hecc 0.013 0.000 -0.009 TTT 0.007 73
83 Au72Na hecc 0.014 -0.000 -3.991 TTT 0.004 73
84 Au72Mg hecc 0.013 -0.000 -2.085 TTT 0.005 73
85 AlAu72 hecc 0.013 0.000 -0.667 TTT 0.006 73
86 Au72Si hecc 0.013 -0.000 -0.217 TTT 0.009 73
87 Au72P hecc 0.012 -0.000 -0.015 TTT 0.007 73
88 Au72S hecc 0.012 -0.000 0.997 TTT 0.009 73
89 Au72Cl hecc 0.012 -0.000 1.110 TTT 0.010 73
90 Au72Ar hecc 0.013 -0.000 -0.110 TTT 0.006 73
91 Au72H hecc 0.013 0.000 0.080 TTT 0.008 73
92 Au72He hecc 0.013 0.000 -0.023 TTT 0.009 73
93 Au72Li hecc 0.014 -0.000 -4.421 TTT 0.009 73
94 Au72Be hecc 0.012 -0.000 -1.284 TTT 0.006 73
95 Au72B hecc 0.012 -0.000 -0.273 TTT 0.007 73
96 Au72C hecc 0.012 -0.000 0.571 TTT 0.009 73
97 Au72N hecc 0.013 0.000 1.173 TTT 0.010 73
98 Au72O hecc 0.013 -0.000 1.637 TTT 0.010 73
99 Au72F hecc 0.013 -0.000 1.741 TTT 0.009 73
100 Au72Ne hecc 0.013 -0.000 -0.015 TTT 0.007 73