↓
ID
✕
|
Formula
✕
|
no_equ_8
✕
|
no_equ_29
✕
|
no_equ_10
✕
|
Age
✕
|
Number of atoms
✕
|
no_equ_25
✕
|
plane_index
✕
|
no_equ_20
✕
|
no_equ_2
✕
|
no_equ_30
✕
|
no_equ_26
✕
|
Username
✕
|
1
|
Cu54Li
|
ratio:1.13,dipole:-3.714,distance:3.427,ads_E:-0.940
|
-
|
ratio:1.17,dipole:-3.222,distance:3.904,ads_E:-0.582
|
13M
|
55
|
-
|
100
|
-
|
ratio:0.93,dipole:-1.125,distance:1.042,ads_E:-1.567
|
-
|
-
|
hecc
|
2
|
BeCu54
|
ratio:1.13,dipole:-0.472991,distance:2.41168,ads_E:-1.3327
|
-
|
ratio:1.2,dipole:-0.359907,distance:3.18592,ads_E:-0.372501
|
13M
|
55
|
-
|
100
|
-
|
ratio:0.93,dipole:0.340153,distance:0.19957,ads_E:-2.58415
|
-
|
-
|
hecc
|
3
|
Cu54B
|
ratio:1.130,dipole:0.870,distance:1.717,ads_E:-4.122
|
-
|
ratio:1.200,dipole:0.935,distance:2.451,ads_E:-2.045
|
13M
|
55
|
-
|
100
|
-
|
ratio:0.930,dipole:0.209,distance:-0.381,ads_E:-5.180
|
-
|
-
|
hecc
|
4
|
Cu54C
|
ratio:1.13,dipole:1.19768,distance:1.61969,ads_E:-4.67472
|
-
|
ratio:1.2,dipole:1.54212,distance:2.34852,ads_E:-2.29339
|
13M
|
55
|
-
|
100
|
ratio:2.1,dipole:5.51535,distance:11.7191,ads_E:-0.0591715
|
ratio:0.93,dipole:0.104359,distance:-0.462661,ads_E:-5.77067
|
-
|
-
|
hecc
|
5
|
Cu54N
|
ratio:1.13,dipole:1.347,distance:1.752,ads_E:-2.917
|
-
|
ratio:1.2,dipole:1.380,distance:2.488,ads_E:-0.433
|
13M
|
55
|
-
|
100
|
-
|
ratio:0.93,dipole:-0.001,distance:-0.350,ads_E:-4.156
|
-
|
-
|
hecc
|
6
|
Cu54O
|
ratio:1.130,dipole:1.922,distance:2.193,ads_E:-2.973
|
-
|
ratio:1.200,dipole:3.021,distance:2.955,ads_E:-0.945
|
13M
|
55
|
-
|
100
|
-
|
ratio:0.930,dipole:-0.058,distance:0.015,ads_E:-4.909
|
-
|
-
|
hecc
|
7
|
Cu54F
|
ratio:1.130,dipole:4.250,distance:2.711,ads_E:-2.537
|
-
|
ratio:1.250,dipole:6.761,distance:4.069,ads_E:-1.287
|
13M
|
55
|
-
|
100
|
-
|
ratio:0.930,dipole:0.015,distance:0.447,ads_E:-3.637
|
-
|
-
|
hecc
|
8
|
Cu54Ar
|
ratio:1.04,dipole:-0.018,distance:4.088,ads_E:-0.017
|
ratio:1.46,dipole:0.000,distance:9.786,ads_E:-0.005
|
ratio:1.08,dipole:0.005,distance:4.631,ads_E:-0.014
|
13M
|
55
|
ratio:1.38,dipole:0.000,distance:8.701,ads_E:-0.005
|
100
|
ratio:1.28,dipole:0.001,distance:7.344,ads_E:-0.005
|
ratio:0.92,dipole:-0.596,distance:2.460,ads_E:0.278
|
ratio:1.48,dipole:0.000,distance:10.057,ads_E:-0.005
|
ratio:1.4,dipole:0.000,distance:8.972,ads_E:-0.005
|
hecc
|