ASE database

Displaying rows 501-525 out of 594
Formula ✕ Dipole_val ✕ atom_E ✕ Username ✕ plane_index ✕ Magnetic moment ✕ Charge ✕ ads_E ✕ Volume ✕ PBC ✕
Cu72P 0.631 -1.888 hecc 110 0.000 0.000 -4.158 2163.104 TTT
Cu72S 0.628 -0.945 hecc 110 0.000 0.000 -4.563 2163.104 TTT
Cu72Cl 1.060 -0.243 hecc 110 0.000 0.000 -3.480 2163.104 TTT
Cu72Ar -0.061 -0.025 hecc 110 0.000 0.000 -0.043 2163.104 TTT
Cu72H 0.728 -1.117 hecc 110 -0.000 0.000 -1.905 2163.104 TTT
Cu72He -0.030 0.002 hecc 110 0.000 0.000 -0.029 2163.104 TTT
Cu72Li -4.654 -0.299 hecc 110 -0.000 0.000 -1.785 2163.104 TTT
BeCu72 -0.984 -0.039 hecc 110 -0.000 0.000 -1.340 2163.104 TTT
Cu72B 0.649 -0.349 hecc 110 -0.000 0.000 -2.695 2163.104 TTT
Cu72C 1.506 -1.248 hecc 110 -0.000 0.000 -2.924 2163.104 TTT
Cu72N 2.125 -3.124 hecc 110 -0.006 0.000 -1.624 2163.104 TTT
Cu72O 2.704 -1.533 hecc 110 0.000 0.000 -3.458 2163.104 TTT
Cu72F 2.758 -0.424 hecc 110 0.000 0.000 -4.073 2163.104 TTT
Cu72Ne -0.029 -0.013 hecc 110 -0.000 0.000 -0.032 2163.104 TTT
Cu72Na -5.698 -0.225 hecc 110 -0.000 0.000 -1.541 2163.104 TTT
Cu72Mg -2.721 -0.004 hecc 110 -0.000 0.000 -0.965 2163.104 TTT
AlCu72 -1.130 -0.295 hecc 110 -0.000 0.000 -2.343 2163.104 TTT
Cu72Si 0.302 -0.830 hecc 110 -0.000 0.000 -2.880 2163.104 TTT
Cu72P 1.317 -1.888 hecc 110 -0.000 0.000 -2.325 2163.104 TTT
Cu72S 2.164 -0.945 hecc 110 -0.000 0.000 -3.255 2163.104 TTT
Cu72Cl 2.539 -0.243 hecc 110 -0.000 0.000 -3.237 2163.104 TTT
Cu72Ar -0.149 -0.025 hecc 110 0.000 0.000 -0.028 2163.104 TTT
Cu54H 0.013 -1.120 hecc 111 -0.000 0.000 -2.559 1730.483 TTT
Cu54He -0.021 0.002 hecc 111 -0.000 0.000 -0.002 1730.483 TTT
Cu54Li -3.352 -0.299 hecc 111 0.000 0.000 -2.334 1730.483 TTT