ASE database

Displaying rows 1-8 out of 8
↓ ID ✕ Formula ✕ plane_index ✕ no_equ_2 ✕ no_equ_8 ✕ no_equ_19 ✕ no_equ_18 ✕ no_equ_3 ✕
1 Cu54Li 100 ratio:0.93,dipole:-1.125,distance:1.042,ads_E:-1.567 ratio:1.13,dipole:-3.714,distance:3.427,ads_E:-0.940 - - ratio:0.96,dipole:-1.624,distance:1.400,ads_E:-1.949
2 BeCu54 100 ratio:0.93,dipole:0.340153,distance:0.19957,ads_E:-2.58415 ratio:1.13,dipole:-0.472991,distance:2.41168,ads_E:-1.3327 - ratio:1.6,dipole:-0.00466727,distance:7.61014,ads_E:-0.0017761 ratio:0.96,dipole:0.234375,distance:0.531386,ads_E:-2.83237
3 Cu54B 100 ratio:0.930,dipole:0.209,distance:-0.381,ads_E:-5.180 ratio:1.130,dipole:0.870,distance:1.717,ads_E:-4.122 - - ratio:0.960,dipole:0.398,distance:-0.066,ads_E:-5.490
4 Cu54C 100 ratio:0.93,dipole:0.104359,distance:-0.462661,ads_E:-5.77067 ratio:1.13,dipole:1.19768,distance:1.61969,ads_E:-4.67472 ratio:1.8,dipole:3.74248,distance:8.59558,ads_E:-0.0684837 ratio:1.6,dipole:3.20521,distance:6.61329,ads_E:-0.0862335 ratio:0.96,dipole:0.291413,distance:-0.150308,ads_E:-6.20762
5 Cu54N 100 ratio:0.93,dipole:-0.001,distance:-0.350,ads_E:-4.156 ratio:1.13,dipole:1.347,distance:1.752,ads_E:-2.917 ratio:1.6,dipole:0.009,distance:6.693,ads_E:-0.002 ratio:1.55,dipole:0.009,distance:6.168,ads_E:-0.002 ratio:0.96,dipole:0.160,distance:-0.035,ads_E:-4.570
6 Cu54O 100 ratio:0.930,dipole:-0.058,distance:0.015,ads_E:-4.909 ratio:1.130,dipole:1.922,distance:2.193,ads_E:-2.973 - - ratio:0.960,dipole:0.131,distance:0.342,ads_E:-5.226
7 Cu54F 100 ratio:0.930,dipole:0.015,distance:0.447,ads_E:-3.637 ratio:1.130,dipole:4.250,distance:2.711,ads_E:-2.537 - - ratio:0.960,dipole:0.260,distance:0.787,ads_E:-4.090
8 Cu54Ar 100 ratio:0.92,dipole:-0.596,distance:2.460,ads_E:0.278 ratio:1.04,dipole:-0.018,distance:4.088,ads_E:-0.017 ratio:1.26,dipole:0.002,distance:7.073,ads_E:-0.005 ratio:1.24,dipole:0.002,distance:6.801,ads_E:-0.005 ratio:0.94,dipole:-0.431,distance:2.731,ads_E:0.139