ASE database

Displaying rows 1-8 out of 8
↓ ID ✕ Formula ✕ no_equ_20 ✕ no_equ_14 ✕ no_equ_17 ✕ no_equ_19 ✕ distance ✕ no_equ_21 ✕ ads_site ✕ no_equ_5 ✕ plane_index ✕ slab_E ✕ no_equ_31 ✕ Energy ✕ no_equ_16 ✕
1 Cu54Li - ratio:1.5,dipole:-2.645,distance:7.839,ads_E:-0.084 - - 1.865 - f ratio:1.03,dipole:-2.924,distance:2.235,ads_E:-2.040 100 -190.592 - -193.113 ratio:1.9,dipole:-3.128,distance:12.609,ads_E:-0.058
2 BeCu54 - ratio:1.4,dipole:-0.047443,distance:5.39803,ads_E:-0.0134448 ratio:1.55,dipole:-0.00631543,distance:7.10066,ads_E:-0.00261613 - 1.012 - f ratio:1.03,dipole:-0.173906,distance:1.30562,ads_E:-2.87935 100 -190.592 - -193.566 ratio:1.5,dipole:-0.0113499,distance:6.50408,ads_E:-0.00416696
3 Cu54B - ratio:1.500,dipole:-0.465,distance:5.598,ads_E:-0.193 ratio:2.100,dipole:-0.833,distance:11.891,ads_E:-0.007 - 0.409 - f ratio:1.030,dipole:0.635,distance:0.668,ads_E:-5.579 100 -190.592 - -196.413 ratio:2.000,dipole:-1.008,distance:10.843,ads_E:-0.007
4 Cu54C ratio:2.1,dipole:5.51535,distance:11.7191,ads_E:-0.0591715 ratio:1.4,dipole:2.63066,distance:4.43087,ads_E:-0.175371 ratio:1.55,dipole:3.07149,distance:5.99264,ads_E:-0.095025 ratio:1.8,dipole:3.74248,distance:8.59558,ads_E:-0.0684837 0.260 ratio:2.2,dipole:7.59718,distance:12.7603,ads_E:-0.0579928 f ratio:1.03,dipole:0.653681,distance:0.578516,ads_E:-6.33223 100 -190.592 - -198.094 ratio:1.51,dipole:2.9677,distance:5.57616,ads_E:-0.10513
5 Cu54N - ratio:1.36,dipole:-0.067,distance:4.254,ads_E:-0.030 ratio:1.5,dipole:0.030,distance:5.736,ads_E:-0.004 ratio:1.6,dipole:0.009,distance:6.693,ads_E:-0.002 0.399 - f ratio:1.03,dipole:0.566,distance:0.701,ads_E:-4.655 100 -190.592 - -198.315 ratio:1.45,dipole:0.007,distance:5.116,ads_E:-0.007
6 Cu54O - ratio:1.550,dipole:3.996,distance:6.765,ads_E:-0.507 - - 0.772 - f ratio:1.030,dipole:0.754,distance:1.104,ads_E:-5.283 100 -190.592 - -197.510 ratio:2.100,dipole:4.187,distance:12.753,ads_E:-0.168
7 Cu54F - ratio:1.600,dipole:10.431,distance:8.031,ads_E:-0.769 - - 1.238 - f ratio:1.030,dipole:1.159,distance:1.579,ads_E:-4.212 100 -190.592 - -195.280 -
8 Cu54Ar ratio:1.28,dipole:0.001,distance:7.344,ads_E:-0.005 ratio:1.16,dipole:0.006,distance:5.716,ads_E:-0.008 ratio:1.22,dipole:0.004,distance:6.530,ads_E:-0.006 ratio:1.26,dipole:0.002,distance:7.073,ads_E:-0.005 3.861 ratio:1.3,dipole:0.002,distance:7.615,ads_E:-0.005 f ratio:0.98,dipole:-0.177,distance:3.274,ads_E:0.014 100 -190.592 ratio:1.5,dipole:0.000,distance:10.329,ads_E:-0.005 -190.598 ratio:1.2,dipole:0.005,distance:6.259,ads_E:-0.006