ASE database

Displaying rows 76-100 out of 594
↓ ID ✕ Formula ✕ plane_index ✕ Dipole_val ✕ atom_E ✕ str_E ✕ distance ✕ Mass ✕ Energy ✕ PBC ✕ Age ✕ Charge ✕ ads_E ✕
76 Au72Be 110 -0.299 -0.039 -222.247 0.376 14190.605 -222.247 TTT 13M 0.000 -3.681
77 Au72B 110 0.021 -0.349 -224.037 0.004 14192.403 -224.037 TTT 13M 0.000 -5.161
78 Au72C 110 0.079 -1.248 -224.356 -0.057 14193.604 -224.356 TTT 13M 0.000 -4.581
79 Au72N 110 0.957 -3.124 -223.581 1.019 14195.600 -223.581 TTT 13M 0.000 -1.930
80 Au72O 110 1.357 -1.533 -223.229 1.128 14197.592 -223.229 TTT 13M 0.000 -3.169
81 Au72F 110 1.379 -0.424 -222.245 1.287 14200.591 -222.245 TTT 13M 0.000 -3.294
82 Au72Ne 110 -0.009 -0.013 -218.548 3.219 14201.773 -218.548 TTT 13M 0.000 -0.009
83 Au72Na 110 -3.991 -0.225 -221.145 1.783 14204.583 -221.145 TTT 13M 0.000 -2.393
84 Au72Mg 110 -2.085 -0.004 -220.986 1.048 14205.898 -220.986 TTT 13M 0.000 -2.455
85 AlAu72 110 -0.667 -0.295 -222.861 0.555 14208.575 -222.861 TTT 13M 0.000 -4.039
86 Au72Si 110 -0.217 -0.830 -223.955 0.496 14209.678 -223.955 TTT 13M 0.000 -4.598
87 Au72P 110 -0.015 -1.888 -223.843 0.638 14212.567 -223.843 TTT 13M 0.000 -3.429
88 Au72S 110 0.997 -0.945 -222.907 1.456 14213.653 -222.907 TTT 13M 0.000 -3.435
89 Au72Cl 110 1.110 -0.243 -221.497 1.702 14217.043 -221.497 TTT 13M 0.000 -2.727
90 Au72Ar 110 -0.110 -0.025 -218.552 3.199 14221.541 -218.552 TTT 13M 0.000 0.000
91 Au72H 110 0.080 -1.117 -221.957 1.011 14182.601 -221.957 TTT 13M 0.000 -2.313
92 Au72He 110 -0.023 0.002 -218.530 3.531 14185.596 -218.530 TTT 13M 0.000 -0.005
93 Au72Li 110 -4.421 -0.299 -221.258 2.014 14188.533 -221.258 TTT 13M 0.000 -2.432
94 Au72Be 110 -1.284 -0.039 -221.998 0.794 14190.605 -221.998 TTT 13M 0.000 -3.432
95 Au72B 110 -0.273 -0.349 -224.163 -1.286 14192.403 -224.163 TTT 13M 0.000 -5.288
96 Au72C 110 0.571 -1.248 -224.114 0.883 14193.604 -224.114 TTT 13M 0.000 -4.339
97 Au72N 110 1.173 -3.124 -223.914 1.085 14195.600 -223.914 TTT 13M 0.000 -2.263
98 Au72O 110 1.637 -1.533 -223.523 1.199 14197.592 -223.523 TTT 13M 0.000 -3.463
99 Au72F 110 1.741 -0.424 -222.402 1.545 14200.591 -222.402 TTT 13M 0.000 -3.451
100 Au72Ne 110 -0.015 -0.013 -218.547 3.558 14201.773 -218.547 TTT 13M 0.000 -0.007