ASE database

ID Formula Energy Mass Calculator Magnetic moment distance ads_E Volume
101 Au72Na -220.823 14204.583 vasp -0.000 2.409 -2.072 3649.858
102 Au72Mg -220.273 14205.898 vasp 0.000 1.938 -1.742 3649.858
103 AlAu72 -222.069 14208.575 vasp -0.000 1.701 -3.248 3649.858
104 Au72Si -223.274 14209.678 vasp -0.000 1.560 -3.917 3649.858
105 Au72P -223.458 14212.567 vasp -0.003 1.549 -3.043 3649.858
106 Au72S -223.028 14213.653 vasp -0.000 1.636 -3.556 3649.858
107 Au72Cl -221.679 14217.043 vasp -0.000 1.936 -2.909 3649.858
108 Au72Ar -218.551 14221.541 vasp -0.000 3.439 0.002 3649.858
109 Au72H -221.776 14182.601 vasp 0.000 1.599 -2.132 3649.858
110 Au72He -218.530 14185.596 vasp 0.000 3.610 -0.005 3649.858
111 Au72Li -221.011 14188.533 vasp -0.000 2.237 -2.185 3649.858
112 Au72Be -220.240 14190.605 vasp -0.004 2.078 -1.673 3649.858
113 Au72B -221.920 14192.403 vasp 0.000 1.927 -3.045 3649.858
114 Au72C -222.605 14193.604 vasp 0.001 1.835 -2.830 3649.858
115 Au72N -222.623 14195.600 vasp 0.000 1.836 -0.972 3649.858
116 Au72O -222.603 14197.592 vasp -0.000 1.889 -2.543 3649.858
117 Au72F -222.249 14200.591 vasp 0.000 2.038 -3.298 3649.858
118 Au72Ne -218.546 14201.773 vasp -0.000 3.629 -0.007 3649.858
119 Au72Na -220.649 14204.583 vasp -0.000 2.544 -1.897 3649.858
120 Au72Mg -219.792 14205.898 vasp 0.000 2.384 -1.261 3649.858
121 AlAu72 -221.476 14208.575 vasp 0.000 2.395 -2.655 3649.858
122 Au72Si -222.175 14209.678 vasp -0.000 2.136 -2.818 3649.858
123 Au72P -222.119 14212.567 vasp 0.000 2.139 -1.704 3649.858
124 Au72S -221.946 14213.653 vasp -0.000 2.212 -2.475 3649.858
125 Au72Cl -221.439 14217.043 vasp -0.000 2.331 -2.669 3649.858