ASE database

Displaying rows 1-8 out of 8
↓ ID ✕ Formula ✕ no_equ_7 ✕ ads_site ✕ no_equ_25 ✕ no_equ_11 ✕ Energy ✕ no_equ_16 ✕ no_equ_10 ✕ no_equ_1 ✕ no_equ_8 ✕
1 Cu54Li ratio:1.1,dipole:-4.039,distance:3.069,ads_E:-1.290 f - ratio:1.25,dipole:-2.667,distance:4.858,ads_E:-0.244 -193.113 ratio:1.9,dipole:-3.128,distance:12.609,ads_E:-0.058 ratio:1.17,dipole:-3.222,distance:3.904,ads_E:-0.582 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
2 BeCu54 ratio:1.1,dipole:-0.434967,distance:2.07986,ads_E:-1.97799 f - ratio:1.25,dipole:-0.291055,distance:3.73895,ads_E:-0.152313 -193.566 ratio:1.5,dipole:-0.0113499,distance:6.50408,ads_E:-0.00416696 ratio:1.2,dipole:-0.359907,distance:3.18592,ads_E:-0.372501 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
3 Cu54B ratio:1.100,dipole:0.778,distance:1.402,ads_E:-4.794 f - ratio:1.250,dipole:-0.107,distance:2.976,ads_E:-0.989 -196.413 ratio:2.000,dipole:-1.008,distance:10.843,ads_E:-0.007 ratio:1.200,dipole:0.935,distance:2.451,ads_E:-2.045 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
4 Cu54C ratio:1.1,dipole:1.00519,distance:1.30734,ads_E:-5.4061 f - ratio:1.25,dipole:1.94527,distance:2.86911,ads_E:-0.945693 -198.094 ratio:1.51,dipole:2.9677,distance:5.57616,ads_E:-0.10513 ratio:1.2,dipole:1.54212,distance:2.34852,ads_E:-2.29339 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
5 Cu54N ratio:1.1,dipole:1.088,distance:1.437,ads_E:-3.705 f - ratio:1.25,dipole:0.908,distance:3.014,ads_E:-0.162 -198.315 ratio:1.45,dipole:0.007,distance:5.116,ads_E:-0.007 ratio:1.2,dipole:1.380,distance:2.488,ads_E:-0.433 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
6 Cu54O ratio:1.100,dipole:1.502,distance:1.866,ads_E:-3.941 f - ratio:1.250,dipole:3.446,distance:3.499,ads_E:-0.537 -197.510 ratio:2.100,dipole:4.187,distance:12.753,ads_E:-0.168 ratio:1.200,dipole:3.021,distance:2.955,ads_E:-0.945 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
7 Cu54F ratio:1.100,dipole:3.086,distance:2.371,ads_E:-3.138 f - ratio:1.300,dipole:7.369,distance:4.635,ads_E:-1.125 -195.280 - ratio:1.250,dipole:6.761,distance:4.069,ads_E:-1.287 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
8 Cu54Ar ratio:1.02,dipole:-0.049,distance:3.817,ads_E:-0.015 f ratio:1.38,dipole:0.000,distance:8.701,ads_E:-0.005 ratio:1.1,dipole:0.008,distance:4.902,ads_E:-0.012 -190.598 ratio:1.2,dipole:0.005,distance:6.259,ads_E:-0.006 ratio:1.08,dipole:0.005,distance:4.631,ads_E:-0.014 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