ASE database

Displaying rows 26-50 out of 594
↓ ID ✕ Formula ✕ slab_E ✕ atom_E ✕ PBC ✕ Mass ✕ plane_index ✕ Calculator ✕ Dipole_val ✕
26 Au54O -165.064 -1.533 TTT 10652.194 100 vasp 1.316
27 Au54F -165.064 -0.424 TTT 10655.193 100 vasp 1.353
28 Au54Ne -165.064 -0.013 TTT 10656.374 100 vasp -0.015
29 Au54Na -165.064 -0.225 TTT 10659.184 100 vasp -5.551
30 Au54Mg -165.064 -0.004 TTT 10660.500 100 vasp -3.232
31 AlAu54 -165.064 -0.295 TTT 10663.176 100 vasp -1.327
32 Au54Si -165.064 -0.830 TTT 10664.280 100 vasp -0.547
33 Au54P -165.064 -1.888 TTT 10667.168 100 vasp 0.123
34 Au54S -165.064 -0.945 TTT 10668.255 100 vasp 0.877
35 Au54Cl -165.064 -0.243 TTT 10671.645 100 vasp 0.954
36 Au54Ar -165.064 -0.025 TTT 10676.143 100 vasp -0.099
37 Au54H -165.064 -1.117 TTT 10637.203 100 vasp 0.155
38 Au54He -165.064 0.002 TTT 10640.197 100 vasp -0.015
39 Au54Li -165.064 -0.299 TTT 10643.135 100 vasp -5.047
40 Au54Be -165.064 -0.039 TTT 10645.207 100 vasp -1.560
41 Au54B -165.064 -0.349 TTT 10647.005 100 vasp 0.021
42 Au54C -165.064 -1.248 TTT 10648.206 100 vasp 0.691
43 Au54N -165.064 -3.124 TTT 10650.202 100 vasp 1.558
44 Au54O -165.064 -1.533 TTT 10652.194 100 vasp 2.393
45 Au54F -165.064 -0.424 TTT 10655.193 100 vasp 2.726
46 Au54Ne -165.064 -0.013 TTT 10656.374 100 vasp -0.019
47 Au54Na -165.064 -0.225 TTT 10659.184 100 vasp -6.299
48 Au54Mg -165.064 -0.004 TTT 10660.500 100 vasp -3.297
49 AlAu54 -165.064 -0.295 TTT 10663.176 100 vasp -2.036
50 Au54Si -165.064 -0.830 TTT 10664.280 100 vasp -1.163