ASE database

Displaying rows 126-150 out of 594
↓ ID ✕ Formula ✕ str_E ✕ Volume ✕ atom_E ✕ Number of atoms ✕ Age ✕ distance ✕ Maximum stress ✕ Dipole_val ✕ Maximum force ✕
126 Au72Ar -218.555 3649.858 -0.025 73 13M 3.566 0.013 -0.163 0.010
127 Au45H -141.912 2322.637 -1.120 46 13M 0.774 0.014 -0.104 0.009
128 Au45He -138.731 2322.637 0.002 46 13M 3.648 0.015 -0.016 0.009
129 Au45Li -141.636 2322.637 -0.299 46 13M 1.967 0.015 -3.630 0.007
130 Au45Be -141.723 2322.637 -0.039 46 13M 1.201 0.013 -1.015 0.007
131 Au45B -143.780 2322.637 -0.349 46 13M 0.511 0.011 -0.111 0.009
132 Au45C -144.527 2322.637 -1.250 46 13M 0.514 0.011 -0.020 0.009
133 Au45N -144.187 2322.637 -3.120 46 13M 0.856 0.012 0.338 0.006
134 Au45O -143.540 2322.637 -1.530 46 13M 1.014 0.012 0.650 0.010
135 Au45F -142.249 2322.637 -0.424 46 13M 1.554 0.013 1.205 0.010
136 Au45Ne -138.747 2322.637 -0.013 46 13M 3.625 0.015 -0.009 0.009
137 Au45Na -141.146 2322.637 -0.225 46 13M 2.334 0.015 -5.167 0.009
138 Au45Mg -140.579 2322.637 -0.004 46 13M 1.893 0.013 -3.300 0.004
139 AlAu45 -142.301 2322.637 -0.295 46 13M 1.708 0.013 -1.354 0.010
140 Au45Si -143.667 2322.637 -0.830 46 13M 1.527 0.013 -0.515 0.007
141 Au45P -143.967 2322.637 -1.890 46 13M 1.446 0.012 -0.046 0.011
142 Au45S -143.196 2322.637 -0.945 46 13M 1.516 0.012 0.293 0.008
143 Au45Cl -141.422 2322.637 -0.243 46 13M 1.975 0.013 0.783 0.006
144 Au45Ar -138.753 2322.637 -0.025 46 13M 3.751 0.015 -0.073 0.009
145 Au45H -141.936 2322.637 -1.117 46 13M 0.710 0.014 -0.109 0.005
146 Au45He -138.730 2322.637 0.002 46 13M 3.620 0.015 -0.017 0.010
147 Au45Li -141.640 2322.637 -0.299 46 13M 1.971 0.015 -3.625 0.008
148 Au45Be -141.741 2322.637 -0.039 46 13M 1.202 0.013 -1.007 0.007
149 Au45B -143.821 2322.637 -0.349 46 13M 0.625 0.011 -0.087 0.005
150 Au45C -144.626 2322.637 -1.248 46 13M 0.681 0.011 0.084 0.007