ASE database

ID Formula ads_E Dipole_val Volume Maximum force PBC Magnetic moment
51 Au54P -1.663 0.133 2654.442 0.004 TTT -0.002
52 Au54S -2.279 1.591 2654.442 0.009 TTT -0.000
53 Au54Cl -2.402 2.287 2654.442 0.008 TTT -0.000
54 Au54Ar -0.003 -0.102 2654.442 0.005 TTT 0.000
55 Au72H -1.683 -0.181 3649.858 0.010 TTT 0.000
56 Au72He -0.005 -0.016 3649.858 0.008 TTT 0.000
57 Au72Li -2.954 -1.996 3649.858 0.010 TTT -0.000
58 Au72Be -3.785 -0.158 3649.858 0.007 TTT 0.000
59 Au72B -5.089 0.170 3649.858 0.009 TTT 0.000
60 Au72C -4.383 0.284 3649.858 0.009 TTT -0.000
61 Au72N -2.009 0.438 3649.858 0.007 TTT 0.000
62 Au72O -2.954 0.578 3649.858 0.008 TTT -0.000
63 Au72F -3.008 1.101 3649.858 0.010 TTT -0.000
64 Au72Ne -0.008 -0.007 3649.858 0.008 TTT 0.000
65 Au72Na -2.503 -3.683 3649.858 0.006 TTT 0.000
66 Au72Mg -2.706 -1.984 3649.858 0.005 TTT -0.000
67 AlAu72 -4.343 -0.572 3649.858 0.005 TTT -0.000
68 Au72Si -4.977 -0.022 3649.858 0.007 TTT 0.000
69 Au72P -3.831 0.189 3649.858 0.009 TTT -0.000
70 Au72S -3.509 0.303 3649.858 0.005 TTT 0.000
71 Au72Cl -2.405 1.191 3649.858 0.010 TTT 0.000
72 Au72Ar -0.002 -0.072 3649.858 0.007 TTT 0.000
73 Au72H -1.957 -0.028 3649.858 0.009 TTT 0.000
74 Au72He -0.005 -0.021 3649.858 0.010 TTT -0.000
75 Au72Li -2.846 -2.222 3649.858 0.010 TTT 0.000