ASE database

Displaying rows 76-31 out of 31
↓ ID ✕ Formula ✕ Username ✕ Maximum stress ✕ Magnetic moment ✕ Dipole_val ✕ PBC ✕ Maximum force ✕ Number of atoms ✕ Volume ✕ slab_E ✕
76 Au72Be hecc 0.013 0.000 -0.299 TTT 0.009 73 3649.858 -218.527
77 Au72B hecc 0.012 0.000 0.021 TTT 0.006 73 3649.858 -218.527
78 Au72C hecc 0.011 0.000 0.079 TTT 0.007 73 3649.858 -218.527
79 Au72N hecc 0.012 0.000 0.957 TTT 0.009 73 3649.858 -218.527
80 Au72O hecc 0.012 -0.000 1.357 TTT 0.010 73 3649.858 -218.527
81 Au72F hecc 0.012 0.000 1.379 TTT 0.009 73 3649.858 -218.527
82 Au72Ne hecc 0.013 0.000 -0.009 TTT 0.007 73 3649.858 -218.527
83 Au72Na hecc 0.014 -0.000 -3.991 TTT 0.004 73 3649.858 -218.527
84 Au72Mg hecc 0.013 -0.000 -2.085 TTT 0.005 73 3649.858 -218.527
85 AlAu72 hecc 0.013 0.000 -0.667 TTT 0.006 73 3649.858 -218.527
86 Au72Si hecc 0.013 -0.000 -0.217 TTT 0.009 73 3649.858 -218.527
87 Au72P hecc 0.012 -0.000 -0.015 TTT 0.007 73 3649.858 -218.527
88 Au72S hecc 0.012 -0.000 0.997 TTT 0.009 73 3649.858 -218.527
89 Au72Cl hecc 0.012 -0.000 1.110 TTT 0.010 73 3649.858 -218.527
90 Au72Ar hecc 0.013 -0.000 -0.110 TTT 0.006 73 3649.858 -218.527
91 Au72H hecc 0.013 0.000 0.080 TTT 0.008 73 3649.858 -218.527
92 Au72He hecc 0.013 0.000 -0.023 TTT 0.009 73 3649.858 -218.527
93 Au72Li hecc 0.014 -0.000 -4.421 TTT 0.009 73 3649.858 -218.527
94 Au72Be hecc 0.012 -0.000 -1.284 TTT 0.006 73 3649.858 -218.527
95 Au72B hecc 0.012 -0.000 -0.273 TTT 0.007 73 3649.858 -218.527
96 Au72C hecc 0.012 -0.000 0.571 TTT 0.009 73 3649.858 -218.527
97 Au72N hecc 0.013 0.000 1.173 TTT 0.010 73 3649.858 -218.527
98 Au72O hecc 0.013 -0.000 1.637 TTT 0.010 73 3649.858 -218.527
99 Au72F hecc 0.013 -0.000 1.741 TTT 0.009 73 3649.858 -218.527
100 Au72Ne hecc 0.013 -0.000 -0.015 TTT 0.007 73 3649.858 -218.527