ASE database

Displaying rows 1-25 out of 2180
↓ ID ✕ Volume ✕ no_equ_2 ✕ atom_E ✕ no_equ_6 ✕ Charge ✕ Dipole_val ✕ no_equ_10 ✕ no_equ_25 ✕ plane_index ✕ slab_E ✕ no_equ_7 ✕ ads_site ✕ Magnetic moment ✕ no_equ_23 ✕ distance ✕ PBC ✕ no_equ_31 ✕
1 1730.483 ratio:0.93,dipole:-1.125,distance:1.042,ads_E:-1.567 -0.299 ratio:1.06,dipole:-3.520,distance:2.592,ads_E:-1.776 0.000 -2.989 ratio:1.17,dipole:-3.222,distance:3.904,ads_E:-0.582 - 100 -190.592 ratio:1.1,dipole:-4.039,distance:3.069,ads_E:-1.290 f 0.000 - 1.865 TTT -
2 1730.483 ratio:0.93,dipole:0.340153,distance:0.19957,ads_E:-2.58415 -0.039 ratio:1.06,dipole:-0.280091,distance:1.63744,ads_E:-2.62506 0.000 -0.069 ratio:1.2,dipole:-0.359907,distance:3.18592,ads_E:-0.372501 - 100 -190.592 ratio:1.1,dipole:-0.434967,distance:2.07986,ads_E:-1.97799 f -0.000 - 1.012 TTT -
3 1730.483 ratio:0.930,dipole:0.209,distance:-0.381,ads_E:-5.180 -0.349 ratio:1.060,dipole:0.683,distance:0.983,ads_E:-5.361 0.000 0.558 ratio:1.200,dipole:0.935,distance:2.451,ads_E:-2.045 - 100 -190.592 ratio:1.100,dipole:0.778,distance:1.402,ads_E:-4.794 f 0.000 - 0.409 TTT -
4 1730.483 ratio:0.93,dipole:0.104359,distance:-0.462661,ads_E:-5.77067 -1.248 ratio:1.06,dipole:0.76872,distance:0.890869,ads_E:-6.06915 0.000 0.431 ratio:1.2,dipole:1.54212,distance:2.34852,ads_E:-2.29339 - 100 -190.592 ratio:1.1,dipole:1.00519,distance:1.30734,ads_E:-5.4061 f -0.000 - 0.260 TTT -
5 1730.483 ratio:0.93,dipole:-0.001,distance:-0.350,ads_E:-4.156 -3.124 ratio:1.06,dipole:0.760,distance:1.016,ads_E:-4.404 0.000 0.356 ratio:1.2,dipole:1.380,distance:2.488,ads_E:-0.433 - 100 -190.592 ratio:1.1,dipole:1.088,distance:1.437,ads_E:-3.705 f -0.000 - 0.399 TTT -
6 1730.483 ratio:0.930,dipole:-0.058,distance:0.015,ads_E:-4.909 -1.533 ratio:1.060,dipole:1.037,distance:1.431,ads_E:-4.883 0.000 0.473 ratio:1.200,dipole:3.021,distance:2.955,ads_E:-0.945 - 100 -190.592 ratio:1.100,dipole:1.502,distance:1.866,ads_E:-3.941 f 0.000 - 0.772 TTT -
7 1730.483 ratio:0.930,dipole:0.015,distance:0.447,ads_E:-3.637 -0.424 ratio:1.060,dipole:1.787,distance:1.918,ads_E:-3.859 0.000 0.677 ratio:1.250,dipole:6.761,distance:4.069,ads_E:-1.287 - 100 -190.592 ratio:1.100,dipole:3.086,distance:2.371,ads_E:-3.138 f -0.000 - 1.238 TTT -
8 1730.483 ratio:0.92,dipole:-0.596,distance:2.460,ads_E:0.278 -0.025 ratio:1,dipole:-0.100,distance:3.545,ads_E:-0.007 0.000 -0.049 ratio:1.08,dipole:0.005,distance:4.631,ads_E:-0.014 ratio:1.38,dipole:0.000,distance:8.701,ads_E:-0.005 100 -190.592 ratio:1.02,dipole:-0.049,distance:3.817,ads_E:-0.015 f -0.000 ratio:1.34,dipole:0.001,distance:8.158,ads_E:-0.005 3.861 TTT ratio:1.5,dipole:0.000,distance:10.329,ads_E:-0.005