ASE database

ID Formula ads_E Dipole_val Volume Maximum force PBC Magnetic moment Mass
51 Au54P -1.663 0.133 2654.442 0.004 TTT -0.002 10667.168
52 Au54S -2.279 1.591 2654.442 0.009 TTT -0.000 10668.255
53 Au54Cl -2.402 2.287 2654.442 0.008 TTT -0.000 10671.645
54 Au54Ar -0.003 -0.102 2654.442 0.005 TTT 0.000 10676.143
55 Au72H -1.683 -0.181 3649.858 0.010 TTT 0.000 14182.601
56 Au72He -0.005 -0.016 3649.858 0.008 TTT 0.000 14185.596
57 Au72Li -2.954 -1.996 3649.858 0.010 TTT -0.000 14188.533
58 Au72Be -3.785 -0.158 3649.858 0.007 TTT 0.000 14190.605
59 Au72B -5.089 0.170 3649.858 0.009 TTT 0.000 14192.403
60 Au72C -4.383 0.284 3649.858 0.009 TTT -0.000 14193.604
61 Au72N -2.009 0.438 3649.858 0.007 TTT 0.000 14195.600
62 Au72O -2.954 0.578 3649.858 0.008 TTT -0.000 14197.592
63 Au72F -3.008 1.101 3649.858 0.010 TTT -0.000 14200.591
64 Au72Ne -0.008 -0.007 3649.858 0.008 TTT 0.000 14201.773
65 Au72Na -2.503 -3.683 3649.858 0.006 TTT 0.000 14204.583
66 Au72Mg -2.706 -1.984 3649.858 0.005 TTT -0.000 14205.898
67 AlAu72 -4.343 -0.572 3649.858 0.005 TTT -0.000 14208.575
68 Au72Si -4.977 -0.022 3649.858 0.007 TTT 0.000 14209.678
69 Au72P -3.831 0.189 3649.858 0.009 TTT -0.000 14212.567
70 Au72S -3.509 0.303 3649.858 0.005 TTT 0.000 14213.653
71 Au72Cl -2.405 1.191 3649.858 0.010 TTT 0.000 14217.043
72 Au72Ar -0.002 -0.072 3649.858 0.007 TTT 0.000 14221.541
73 Au72H -1.957 -0.028 3649.858 0.009 TTT 0.000 14182.601
74 Au72He -0.005 -0.021 3649.858 0.010 TTT -0.000 14185.596
75 Au72Li -2.846 -2.222 3649.858 0.010 TTT 0.000 14188.533