ASE database

Displaying rows 1-8 out of 8
↓ ID ✕ Formula ✕ no_equ_24 ✕ no_equ_23 ✕ no_equ_1 ✕ no_equ_8 ✕ no_equ_10 ✕
1 Cu54Li - - ratio:0.9,dipole:-0.645,distance:0.684,ads_E:-1.046 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
2 BeCu54 - - ratio:0.9,dipole:0.302883,distance:-0.132247,ads_E:-2.36046 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
3 Cu54B - - ratio:0.900,dipole:-0.012,distance:-0.696,ads_E:-4.781 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
4 Cu54C - - ratio:0.9,dipole:-0.0331232,distance:-0.775014,ads_E:-5.11493 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
5 Cu54N - - ratio:0.9,dipole:-0.149,distance:-0.666,ads_E:-3.448 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
6 Cu54O - - ratio:0.900,dipole:-0.175,distance:-0.311,ads_E:-4.372 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
7 Cu54F - - ratio:0.900,dipole:-0.137,distance:0.107,ads_E:-3.084 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
8 Cu54Ar ratio:1.36,dipole:0.001,distance:8.429,ads_E:-0.005 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:1.04,dipole:-0.018,distance:4.088,ads_E:-0.017 ratio:1.08,dipole:0.005,distance:4.631,ads_E:-0.014