ASE database

Displaying rows 1-25 out of 594
Formula ✕ distance ✕ PBC ✕ Charge ✕ Dipole_val ✕ Maximum stress ✕ Mass ✕ Volume ✕
Au54H 0.464 TTT 0.000 -0.123 0.012 10637.203 2654.442
Au54He 3.597 TTT 0.000 -0.011 0.011 10640.197 2654.442
Au54Li 1.620 TTT 0.000 -2.696 0.011 10643.135 2654.442
Au54Be 0.461 TTT 0.000 -0.238 0.010 10645.207 2654.442
Au54B 0.094 TTT 0.000 -0.022 0.011 10647.005 2654.442
Au54C 0.055 TTT 0.000 0.044 0.011 10648.206 2654.442
Au54N 0.748 TTT 0.000 0.360 0.011 10650.202 2654.442
Au54O 0.843 TTT 0.000 0.594 0.011 10652.194 2654.442
Au54F 1.259 TTT 0.000 1.029 0.011 10655.193 2654.442
Au54Ne 3.424 TTT 0.000 -0.012 0.011 10656.374 2654.442
Au54Na 2.111 TTT 0.000 -4.669 0.011 10659.184 2654.442
Au54Mg 1.410 TTT 0.000 -2.555 0.010 10660.500 2654.442
AlAu54 0.934 TTT 0.000 -0.805 0.010 10663.176 2654.442
Au54Si 0.866 TTT 0.000 -0.276 0.010 10664.280 2654.442
Au54P 1.150 TTT 0.000 0.008 0.011 10667.168 2654.442
Au54S 1.251 TTT 0.000 0.191 0.011 10668.255 2654.442
Au54Cl 1.721 TTT 0.000 0.752 0.011 10671.645 2654.442
Au54Ar 3.651 TTT 0.000 -0.077 0.011 10676.143 2654.442
Au54H 0.885 TTT 0.000 -0.004 0.011 10637.203 2654.442
Au54He 3.568 TTT 0.000 -0.017 0.011 10640.197 2654.442
Au54Li 1.954 TTT 0.000 -3.955 0.012 10643.135 2654.442
Au54Be 1.213 TTT 0.000 -1.093 0.012 10645.207 2654.442
Au54B 0.861 TTT 0.000 -0.008 0.011 10647.005 2654.442
Au54C 1.062 TTT 0.000 0.475 0.011 10648.206 2654.442
Au54N 1.146 TTT 0.000 0.930 0.011 10650.202 2654.442