ASE database

Displaying rows 51-8 out of 8
↓ ID ✕ Formula ✕ Dipole_val ✕ Volume ✕ PBC ✕ Charge ✕ ads_E ✕ Energy ✕ ads_site ✕
51 Au54P 0.133 2654.442 TTT 0.000 -1.663 -168.614 0t
52 Au54S 1.591 2654.442 TTT 0.000 -2.279 -168.287 0t
53 Au54Cl 2.287 2654.442 TTT 0.000 -2.402 -167.708 0t
54 Au54Ar -0.102 2654.442 TTT 0.000 -0.003 -165.092 0t
55 Au72H -0.181 3649.858 TTT 0.000 -1.683 -221.327 2f
56 Au72He -0.016 3649.858 TTT 0.000 -0.005 -218.530 2f
57 Au72Li -1.996 3649.858 TTT 0.000 -2.954 -221.779 2f
58 Au72Be -0.158 3649.858 TTT 0.000 -3.785 -222.351 2f
59 Au72B 0.170 3649.858 TTT 0.000 -5.089 -223.965 2f
60 Au72C 0.284 3649.858 TTT 0.000 -4.383 -224.158 2f
61 Au72N 0.438 3649.858 TTT 0.000 -2.009 -223.660 2f
62 Au72O 0.578 3649.858 TTT 0.000 -2.954 -223.013 2f
63 Au72F 1.101 3649.858 TTT 0.000 -3.008 -221.958 2f
64 Au72Ne -0.007 3649.858 TTT 0.000 -0.008 -218.548 2f
65 Au72Na -3.683 3649.858 TTT 0.000 -2.503 -221.255 2f
66 Au72Mg -1.984 3649.858 TTT 0.000 -2.706 -221.237 2f
67 AlAu72 -0.572 3649.858 TTT 0.000 -4.343 -223.165 2f
68 Au72Si -0.022 3649.858 TTT 0.000 -4.977 -224.334 2f
69 Au72P 0.189 3649.858 TTT 0.000 -3.831 -224.246 2f
70 Au72S 0.303 3649.858 TTT 0.000 -3.509 -222.981 2f
71 Au72Cl 1.191 3649.858 TTT 0.000 -2.405 -221.174 2f
72 Au72Ar -0.072 3649.858 TTT 0.000 -0.002 -218.555 2f
73 Au72H -0.028 3649.858 TTT 0.000 -1.957 -221.601 3b
74 Au72He -0.021 3649.858 TTT 0.000 -0.005 -218.530 3b
75 Au72Li -2.222 3649.858 TTT 0.000 -2.846 -221.672 3b