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 ✕ Age ✕ no_equ_16 ✕ no_equ_11 ✕ no_equ_1 ✕
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 - 13M ratio:1.9,dipole:-3.128,distance:12.609,ads_E:-0.058 ratio:1.25,dipole:-2.667,distance:4.858,ads_E:-0.244 ratio:0.9,dipole:-0.645,distance:0.684,ads_E:-1.046
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 - 13M ratio:1.5,dipole:-0.0113499,distance:6.50408,ads_E:-0.00416696 ratio:1.25,dipole:-0.291055,distance:3.73895,ads_E:-0.152313 ratio:0.9,dipole:0.302883,distance:-0.132247,ads_E:-2.36046
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 - 13M ratio:2.000,dipole:-1.008,distance:10.843,ads_E:-0.007 ratio:1.250,dipole:-0.107,distance:2.976,ads_E:-0.989 ratio:0.900,dipole:-0.012,distance:-0.696,ads_E:-4.781
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 - 13M ratio:1.51,dipole:2.9677,distance:5.57616,ads_E:-0.10513 ratio:1.25,dipole:1.94527,distance:2.86911,ads_E:-0.945693 ratio:0.9,dipole:-0.0331232,distance:-0.775014,ads_E:-5.11493
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 - 13M ratio:1.45,dipole:0.007,distance:5.116,ads_E:-0.007 ratio:1.25,dipole:0.908,distance:3.014,ads_E:-0.162 ratio:0.9,dipole:-0.149,distance:-0.666,ads_E:-3.448
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 - 13M ratio:2.100,dipole:4.187,distance:12.753,ads_E:-0.168 ratio:1.250,dipole:3.446,distance:3.499,ads_E:-0.537 ratio:0.900,dipole:-0.175,distance:-0.311,ads_E:-4.372
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 - 13M - ratio:1.300,dipole:7.369,distance:4.635,ads_E:-1.125 ratio:0.900,dipole:-0.137,distance:0.107,ads_E:-3.084
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 13M ratio:1.2,dipole:0.005,distance:6.259,ads_E:-0.006 ratio:1.1,dipole:0.008,distance:4.902,ads_E:-0.012 ratio:0.9,dipole:-0.757,distance:2.324,ads_E:0.500