ASE database

Displaying rows 1-25 out of 594
Formula ✕ ads_E ✕ Mass ✕ plane_index ✕ atom_E ✕ Maximum force ✕ Maximum stress ✕ Magnetic moment ✕ distance ✕ Username ✕
Au54H -1.889 10637.203 100 -1.117 0.008 0.012 0.000 0.464 hecc
Au54He -0.007 10640.197 100 0.002 0.006 0.011 0.000 3.597 hecc
Au54Li -2.868 10643.135 100 -0.299 0.008 0.011 -0.000 1.620 hecc
Au54Be -4.044 10645.207 100 -0.039 0.008 0.010 0.000 0.461 hecc
Au54B -5.643 10647.005 100 -0.349 0.008 0.011 0.000 0.094 hecc
Au54C -4.895 10648.206 100 -1.248 0.009 0.011 -0.000 0.055 hecc
Au54N -2.390 10650.202 100 -3.124 0.008 0.011 -0.000 0.748 hecc
Au54O -3.329 10652.194 100 -1.533 0.009 0.011 0.000 0.843 hecc
Au54F -3.208 10655.193 100 -0.424 0.005 0.011 0.000 1.259 hecc
Au54Ne -0.009 10656.374 100 -0.013 0.010 0.011 0.000 3.424 hecc
Au54Na -2.363 10659.184 100 -0.225 0.005 0.011 -0.000 2.111 hecc
Au54Mg -2.441 10660.500 100 -0.004 0.010 0.010 0.000 1.410 hecc
AlAu54 -4.253 10663.176 100 -0.295 0.010 0.010 -0.000 0.934 hecc
Au54Si -5.051 10664.280 100 -0.830 0.006 0.010 -0.000 0.866 hecc
Au54P -4.079 10667.168 100 -1.888 0.006 0.011 0.000 1.150 hecc
Au54S -3.898 10668.255 100 -0.945 0.007 0.011 0.000 1.251 hecc
Au54Cl -2.562 10671.645 100 -0.243 0.010 0.011 0.000 1.721 hecc
Au54Ar -0.005 10676.143 100 -0.025 0.006 0.011 -0.000 3.651 hecc
Au54H -2.247 10637.203 100 -1.117 0.010 0.011 0.000 0.885 hecc
Au54He -0.007 10640.197 100 0.002 0.009 0.011 -0.000 3.568 hecc
Au54Li -2.541 10643.135 100 -0.299 0.009 0.012 0.000 1.954 hecc
Au54Be -2.713 10645.207 100 -0.039 0.009 0.012 -0.000 1.213 hecc
Au54B -4.341 10647.005 100 -0.349 0.009 0.011 -0.000 0.861 hecc
Au54C -4.185 10648.206 100 -1.248 0.006 0.011 0.000 1.062 hecc
Au54N -2.172 10650.202 100 -3.124 0.010 0.011 0.000 1.146 hecc