ASE database

ID Formula slab_E ads_E Username Charge PBC Magnetic moment
1 Au54H -165.064 -1.889 hecc 0.000 TTT 0.000
2 Au54He -165.064 -0.007 hecc 0.000 TTT 0.000
3 Au54Li -165.064 -2.868 hecc 0.000 TTT -0.000
4 Au54Be -165.064 -4.044 hecc 0.000 TTT 0.000
5 Au54B -165.064 -5.643 hecc 0.000 TTT 0.000
6 Au54C -165.064 -4.895 hecc 0.000 TTT -0.000
7 Au54N -165.064 -2.390 hecc 0.000 TTT -0.000
8 Au54O -165.064 -3.329 hecc 0.000 TTT 0.000
9 Au54F -165.064 -3.208 hecc 0.000 TTT 0.000
10 Au54Ne -165.064 -0.009 hecc 0.000 TTT 0.000
11 Au54Na -165.064 -2.363 hecc 0.000 TTT -0.000
12 Au54Mg -165.064 -2.441 hecc 0.000 TTT 0.000
13 AlAu54 -165.064 -4.253 hecc 0.000 TTT -0.000
14 Au54Si -165.064 -5.051 hecc 0.000 TTT -0.000
15 Au54P -165.064 -4.079 hecc 0.000 TTT 0.000
16 Au54S -165.064 -3.898 hecc 0.000 TTT 0.000
17 Au54Cl -165.064 -2.562 hecc 0.000 TTT 0.000
18 Au54Ar -165.064 -0.005 hecc 0.000 TTT -0.000
19 Au54H -165.064 -2.247 hecc 0.000 TTT 0.000
20 Au54He -165.064 -0.007 hecc 0.000 TTT -0.000
21 Au54Li -165.064 -2.541 hecc 0.000 TTT 0.000
22 Au54Be -165.064 -2.713 hecc 0.000 TTT -0.000
23 Au54B -165.064 -4.341 hecc 0.000 TTT -0.000
24 Au54C -165.064 -4.185 hecc 0.000 TTT 0.000
25 Au54N -165.064 -2.172 hecc 0.000 TTT 0.000