ASE database

Displaying rows 1-25 out of 594
↓ ID ✕ Formula ✕ ads_site ✕ atom_E ✕ Magnetic moment ✕ Energy ✕ Mass ✕ PBC ✕ Charge ✕ Dipole_val ✕
1 Au54H 2f -1.117 0.000 -168.070 10637.203 TTT 0.000 -0.123
2 Au54He 2f 0.002 0.000 -165.069 10640.197 TTT 0.000 -0.011
3 Au54Li 2f -0.299 -0.000 -168.230 10643.135 TTT 0.000 -2.696
4 Au54Be 2f -0.039 0.000 -169.147 10645.207 TTT 0.000 -0.238
5 Au54B 2f -0.349 0.000 -171.055 10647.005 TTT 0.000 -0.022
6 Au54C 2f -1.248 -0.000 -171.207 10648.206 TTT 0.000 0.044
7 Au54N 2f -3.124 -0.000 -170.577 10650.202 TTT 0.000 0.360
8 Au54O 2f -1.533 0.000 -169.926 10652.194 TTT 0.000 0.594
9 Au54F 2f -0.424 0.000 -168.695 10655.193 TTT 0.000 1.029
10 Au54Ne 2f -0.013 0.000 -165.085 10656.374 TTT 0.000 -0.012
11 Au54Na 2f -0.225 -0.000 -167.652 10659.184 TTT 0.000 -4.669
12 Au54Mg 2f -0.004 0.000 -167.509 10660.500 TTT 0.000 -2.555
13 AlAu54 2f -0.295 -0.000 -169.611 10663.176 TTT 0.000 -0.805
14 Au54Si 2f -0.830 -0.000 -170.944 10664.280 TTT 0.000 -0.276
15 Au54P 2f -1.888 0.000 -171.031 10667.168 TTT 0.000 0.008
16 Au54S 2f -0.945 0.000 -169.906 10668.255 TTT 0.000 0.191
17 Au54Cl 2f -0.243 0.000 -167.868 10671.645 TTT 0.000 0.752
18 Au54Ar 2f -0.025 -0.000 -165.095 10676.143 TTT 0.000 -0.077
19 Au54H 1b -1.117 0.000 -168.428 10637.203 TTT 0.000 -0.004
20 Au54He 1b 0.002 -0.000 -165.069 10640.197 TTT 0.000 -0.017
21 Au54Li 1b -0.299 0.000 -167.904 10643.135 TTT 0.000 -3.955
22 Au54Be 1b -0.039 -0.000 -167.816 10645.207 TTT 0.000 -1.093
23 Au54B 1b -0.349 -0.000 -169.754 10647.005 TTT 0.000 -0.008
24 Au54C 1b -1.248 0.000 -170.497 10648.206 TTT 0.000 0.475
25 Au54N 1b -3.124 0.000 -170.360 10650.202 TTT 0.000 0.930