ASE database

Displaying rows 101-125 out of 594
↓ ID ✕ Formula ✕ plane_index ✕ Dipole_val ✕ atom_E ✕ str_E ✕ distance ✕ Mass ✕ Energy ✕ PBC ✕ Age ✕ Charge ✕ ads_E ✕
101 Au72Na 110 -6.067 -0.225 -220.823 2.409 14204.583 -220.823 TTT 13M 0.000 -2.072
102 Au72Mg 110 -3.492 -0.004 -220.273 1.938 14205.898 -220.273 TTT 13M 0.000 -1.742
103 AlAu72 110 -1.522 -0.295 -222.069 1.701 14208.575 -222.069 TTT 13M 0.000 -3.248
104 Au72Si 110 -0.561 -0.830 -223.274 1.560 14209.678 -223.274 TTT 13M 0.000 -3.917
105 Au72P 110 0.405 -1.888 -223.458 1.549 14212.567 -223.458 TTT 13M 0.000 -3.043
106 Au72S 110 1.306 -0.945 -223.028 1.636 14213.653 -223.028 TTT 13M 0.000 -3.556
107 Au72Cl 110 1.286 -0.243 -221.679 1.936 14217.043 -221.679 TTT 13M 0.000 -2.909
108 Au72Ar 110 -0.163 -0.025 -218.551 3.439 14221.541 -218.551 TTT 13M 0.000 0.002
109 Au72H 110 0.312 -1.117 -221.776 1.599 14182.601 -221.776 TTT 13M 0.000 -2.132
110 Au72He 110 -0.024 0.002 -218.530 3.610 14185.596 -218.530 TTT 13M 0.000 -0.005
111 Au72Li 110 -5.675 -0.299 -221.011 2.237 14188.533 -221.011 TTT 13M 0.000 -2.185
112 Au72Be 110 -1.886 -0.039 -220.240 2.078 14190.605 -220.240 TTT 13M 0.000 -1.673
113 Au72B 110 0.023 -0.349 -221.920 1.927 14192.403 -221.920 TTT 13M 0.000 -3.045
114 Au72C 110 0.775 -1.248 -222.605 1.835 14193.604 -222.605 TTT 13M 0.000 -2.830
115 Au72N 110 1.821 -3.124 -222.623 1.836 14195.600 -222.623 TTT 13M 0.000 -0.972
116 Au72O 110 2.735 -1.533 -222.603 1.889 14197.592 -222.603 TTT 13M 0.000 -2.543
117 Au72F 110 2.894 -0.424 -222.249 2.038 14200.591 -222.249 TTT 13M 0.000 -3.298
118 Au72Ne 110 -0.020 -0.013 -218.546 3.629 14201.773 -218.546 TTT 13M 0.000 -0.007
119 Au72Na 110 -6.877 -0.225 -220.649 2.544 14204.583 -220.649 TTT 13M 0.000 -1.897
120 Au72Mg 110 -3.881 -0.004 -219.792 2.384 14205.898 -219.792 TTT 13M 0.000 -1.261
121 AlAu72 110 -2.381 -0.295 -221.476 2.395 14208.575 -221.476 TTT 13M 0.000 -2.655
122 Au72Si 110 -1.395 -0.830 -222.175 2.136 14209.678 -222.175 TTT 13M 0.000 -2.818
123 Au72P 110 0.382 -1.888 -222.119 2.139 14212.567 -222.119 TTT 13M 0.000 -1.704
124 Au72S 110 2.053 -0.945 -221.946 2.212 14213.653 -221.946 TTT 13M 0.000 -2.475
125 Au72Cl 110 2.575 -0.243 -221.439 2.331 14217.043 -221.439 TTT 13M 0.000 -2.669