ASE database

Displaying rows 1-8 out of 8
Formula ✕ atom_E ✕ Username ✕ Mass ✕ PBC ✕ ads_site ✕ ads_E ✕ Charge ✕
Au54H -1.117 hecc 10637.203 TTT 2f -1.889 0.000
Au54He 0.002 hecc 10640.197 TTT 2f -0.007 0.000
Au54Li -0.299 hecc 10643.135 TTT 2f -2.868 0.000
Au54Be -0.039 hecc 10645.207 TTT 2f -4.044 0.000
Au54B -0.349 hecc 10647.005 TTT 2f -5.643 0.000
Au54C -1.248 hecc 10648.206 TTT 2f -4.895 0.000
Au54N -3.124 hecc 10650.202 TTT 2f -2.390 0.000
Au54O -1.533 hecc 10652.194 TTT 2f -3.329 0.000
Au54F -0.424 hecc 10655.193 TTT 2f -3.208 0.000
Au54Ne -0.013 hecc 10656.374 TTT 2f -0.009 0.000
Au54Na -0.225 hecc 10659.184 TTT 2f -2.363 0.000
Au54Mg -0.004 hecc 10660.500 TTT 2f -2.441 0.000
AlAu54 -0.295 hecc 10663.176 TTT 2f -4.253 0.000
Au54Si -0.830 hecc 10664.280 TTT 2f -5.051 0.000
Au54P -1.888 hecc 10667.168 TTT 2f -4.079 0.000
Au54S -0.945 hecc 10668.255 TTT 2f -3.898 0.000
Au54Cl -0.243 hecc 10671.645 TTT 2f -2.562 0.000
Au54Ar -0.025 hecc 10676.143 TTT 2f -0.005 0.000
Au54H -1.117 hecc 10637.203 TTT 1b -2.247 0.000
Au54He 0.002 hecc 10640.197 TTT 1b -0.007 0.000
Au54Li -0.299 hecc 10643.135 TTT 1b -2.541 0.000
Au54Be -0.039 hecc 10645.207 TTT 1b -2.713 0.000
Au54B -0.349 hecc 10647.005 TTT 1b -4.341 0.000
Au54C -1.248 hecc 10648.206 TTT 1b -4.185 0.000
Au54N -3.124 hecc 10650.202 TTT 1b -2.172 0.000