ASE database

Displaying rows 1-25 out of 594
↓ ID ✕ Formula ✕ Volume ✕ atom_E ✕ Magnetic moment ✕ Energy ✕ ads_E ✕ Maximum stress ✕
1 Au54H 2654.442 -1.117 0.000 -168.070 -1.889 0.012
2 Au54He 2654.442 0.002 0.000 -165.069 -0.007 0.011
3 Au54Li 2654.442 -0.299 -0.000 -168.230 -2.868 0.011
4 Au54Be 2654.442 -0.039 0.000 -169.147 -4.044 0.010
5 Au54B 2654.442 -0.349 0.000 -171.055 -5.643 0.011
6 Au54C 2654.442 -1.248 -0.000 -171.207 -4.895 0.011
7 Au54N 2654.442 -3.124 -0.000 -170.577 -2.390 0.011
8 Au54O 2654.442 -1.533 0.000 -169.926 -3.329 0.011
9 Au54F 2654.442 -0.424 0.000 -168.695 -3.208 0.011
10 Au54Ne 2654.442 -0.013 0.000 -165.085 -0.009 0.011
11 Au54Na 2654.442 -0.225 -0.000 -167.652 -2.363 0.011
12 Au54Mg 2654.442 -0.004 0.000 -167.509 -2.441 0.010
13 AlAu54 2654.442 -0.295 -0.000 -169.611 -4.253 0.010
14 Au54Si 2654.442 -0.830 -0.000 -170.944 -5.051 0.010
15 Au54P 2654.442 -1.888 0.000 -171.031 -4.079 0.011
16 Au54S 2654.442 -0.945 0.000 -169.906 -3.898 0.011
17 Au54Cl 2654.442 -0.243 0.000 -167.868 -2.562 0.011
18 Au54Ar 2654.442 -0.025 -0.000 -165.095 -0.005 0.011
19 Au54H 2654.442 -1.117 0.000 -168.428 -2.247 0.011
20 Au54He 2654.442 0.002 -0.000 -165.069 -0.007 0.011
21 Au54Li 2654.442 -0.299 0.000 -167.904 -2.541 0.012
22 Au54Be 2654.442 -0.039 -0.000 -167.816 -2.713 0.012
23 Au54B 2654.442 -0.349 -0.000 -169.754 -4.341 0.011
24 Au54C 2654.442 -1.248 0.000 -170.497 -4.185 0.011
25 Au54N 2654.442 -3.124 0.000 -170.360 -2.172 0.011