ASE database

Displaying rows 1-8 out of 8
↓ ID ✕ Formula ✕ no_equ_23 ✕ no_equ_1 ✕ no_equ_2 ✕ no_equ_4 ✕ distance ✕
1 Cu54Li - ratio:0.9,dipole:-0.645,distance:0.684,ads_E:-1.046 ratio:0.93,dipole:-1.125,distance:1.042,ads_E:-1.567 ratio:1,dipole:-2.353,distance:1.877,ads_E:-2.141 1.865
2 BeCu54 - ratio:0.9,dipole:0.302883,distance:-0.132247,ads_E:-2.36046 ratio:0.93,dipole:0.340153,distance:0.19957,ads_E:-2.58415 ratio:1,dipole:0.00345513,distance:0.973808,ads_E:-2.95616 1.012
3 Cu54B - ratio:0.900,dipole:-0.012,distance:-0.696,ads_E:-4.781 ratio:0.930,dipole:0.209,distance:-0.381,ads_E:-5.180 ratio:1.000,dipole:0.557,distance:0.353,ads_E:-5.662 0.409
4 Cu54C - ratio:0.9,dipole:-0.0331232,distance:-0.775014,ads_E:-5.11493 ratio:0.93,dipole:0.104359,distance:-0.462661,ads_E:-5.77067 ratio:1,dipole:0.52283,distance:0.266163,ads_E:-6.42427 0.260
5 Cu54N - ratio:0.9,dipole:-0.149,distance:-0.666,ads_E:-3.448 ratio:0.93,dipole:-0.001,distance:-0.350,ads_E:-4.156 ratio:1,dipole:0.368,distance:0.386,ads_E:-4.725 0.399
6 Cu54O - ratio:0.900,dipole:-0.175,distance:-0.311,ads_E:-4.372 ratio:0.930,dipole:-0.058,distance:0.015,ads_E:-4.909 ratio:1.000,dipole:0.486,distance:0.778,ads_E:-5.406 0.772
7 Cu54F - ratio:0.900,dipole:-0.137,distance:0.107,ads_E:-3.084 ratio:0.930,dipole:0.015,distance:0.447,ads_E:-3.637 ratio:1.000,dipole:0.693,distance:1.239,ads_E:-4.335 1.238
8 Cu54Ar ratio:1.34,dipole:0.001,distance:8.158,ads_E:-0.005 ratio:0.9,dipole:-0.757,distance:2.324,ads_E:0.500 ratio:0.92,dipole:-0.596,distance:2.460,ads_E:0.278 ratio:0.96,dipole:-0.291,distance:3.002,ads_E:0.057 3.861