ASE database

Displaying rows 1-8 out of 8
↓ ID ✕ Formula ✕ Volume ✕ no_equ_19 ✕ no_equ_7 ✕ no_equ_15 ✕ no_equ_2 ✕ no_equ_28 ✕ Username ✕ plane_index ✕ distance ✕ slab_E ✕ Magnetic moment ✕ Number of atoms ✕
1 Cu54Li 1730.483 - ratio:1.1,dipole:-4.039,distance:3.069,ads_E:-1.290 ratio:1.7,dipole:-2.867,distance:10.224,ads_E:-0.066 ratio:0.93,dipole:-1.125,distance:1.042,ads_E:-1.567 - hecc 100 1.865 -190.592 0.000 55
2 BeCu54 1730.483 - ratio:1.1,dipole:-0.434967,distance:2.07986,ads_E:-1.97799 ratio:1.45,dipole:-0.0224294,distance:5.95106,ads_E:-0.00714774 ratio:0.93,dipole:0.340153,distance:0.19957,ads_E:-2.58415 - hecc 100 1.012 -190.592 -0.000 55
3 Cu54B 1730.483 - ratio:1.100,dipole:0.778,distance:1.402,ads_E:-4.794 ratio:1.900,dipole:-0.558,distance:9.794,ads_E:-0.180 ratio:0.930,dipole:0.209,distance:-0.381,ads_E:-5.180 - hecc 100 0.409 -190.592 0.000 55
4 Cu54C 1730.483 ratio:1.8,dipole:3.74248,distance:8.59558,ads_E:-0.0684837 ratio:1.1,dipole:1.00519,distance:1.30734,ads_E:-5.4061 ratio:1.45,dipole:2.19263,distance:4.95146,ads_E:-0.182345 ratio:0.93,dipole:0.104359,distance:-0.462661,ads_E:-5.77067 - hecc 100 0.260 -190.592 -0.000 55
5 Cu54N 1730.483 ratio:1.6,dipole:0.009,distance:6.693,ads_E:-0.002 ratio:1.1,dipole:1.088,distance:1.437,ads_E:-3.705 ratio:1.4,dipole:-0.095,distance:4.680,ads_E:-0.016 ratio:0.93,dipole:-0.001,distance:-0.350,ads_E:-4.156 - hecc 100 0.399 -190.592 -0.000 55
6 Cu54O 1730.483 - ratio:1.100,dipole:1.502,distance:1.866,ads_E:-3.941 ratio:1.900,dipole:6.642,distance:10.576,ads_E:-0.174 ratio:0.930,dipole:-0.058,distance:0.015,ads_E:-4.909 - hecc 100 0.772 -190.592 0.000 55
7 Cu54F 1730.483 - ratio:1.100,dipole:3.086,distance:2.371,ads_E:-3.138 ratio:1.900,dipole:13.468,distance:11.427,ads_E:-0.666 ratio:0.930,dipole:0.015,distance:0.447,ads_E:-3.637 - hecc 100 1.238 -190.592 -0.000 55
8 Cu54Ar 1730.483 ratio:1.26,dipole:0.002,distance:7.073,ads_E:-0.005 ratio:1.02,dipole:-0.049,distance:3.817,ads_E:-0.015 ratio:1.18,dipole:0.006,distance:5.987,ads_E:-0.007 ratio:0.92,dipole:-0.596,distance:2.460,ads_E:0.278 ratio:1.44,dipole:0.000,distance:9.515,ads_E:-0.005 hecc 100 3.861 -190.592 -0.000 55