ASE database

Displaying rows 51-75 out of 594
↓ ID ✕ Formula ✕ Maximum stress ✕ distance ✕ slab_E ✕ Charge ✕ ads_E ✕ atom_E ✕
51 Au54P 0.011 2.068 -165.064 0.000 -1.663 -1.888
52 Au54S 0.011 2.223 -165.064 0.000 -2.279 -0.945
53 Au54Cl 0.010 2.348 -165.064 0.000 -2.402 -0.243
54 Au54Ar 0.011 3.732 -165.064 0.000 -0.003 -0.025
55 Au72H 0.013 0.550 -218.527 0.000 -1.683 -1.117
56 Au72He 0.013 3.257 -218.527 0.000 -0.005 0.002
57 Au72Li 0.014 1.239 -218.527 0.000 -2.954 -0.299
58 Au72Be 0.014 0.506 -218.527 0.000 -3.785 -0.039
59 Au72B 0.014 0.212 -218.527 0.000 -5.089 -0.349
60 Au72C 0.013 0.153 -218.527 0.000 -4.383 -1.248
61 Au72N 0.013 0.283 -218.527 0.000 -2.009 -3.124
62 Au72O 0.013 0.490 -218.527 0.000 -2.954 -1.533
63 Au72F 0.013 1.058 -218.527 0.000 -3.008 -0.424
64 Au72Ne 0.013 3.091 -218.527 0.000 -0.008 -0.013
65 Au72Na 0.014 1.723 -218.527 0.000 -2.503 -0.225
66 Au72Mg 0.014 1.112 -218.527 0.000 -2.706 -0.004
67 AlAu72 0.013 0.784 -218.527 0.000 -4.343 -0.295
68 Au72Si 0.013 0.676 -218.527 0.000 -4.977 -0.830
69 Au72P 0.013 0.689 -218.527 0.000 -3.831 -1.888
70 Au72S 0.013 0.863 -218.527 0.000 -3.509 -0.945
71 Au72Cl 0.013 1.609 -218.527 0.000 -2.405 -0.243
72 Au72Ar 0.013 3.253 -218.527 0.000 -0.002 -0.025
73 Au72H 0.013 0.625 -218.527 0.000 -1.957 -1.117
74 Au72He 0.013 3.259 -218.527 0.000 -0.005 0.002
75 Au72Li 0.014 1.284 -218.527 0.000 -2.846 -0.299