ASE database

Displaying rows 1-8 out of 8
↓ ID ✕ Formula ✕ no_equ_15 ✕ no_equ_8 ✕ no_equ_1 ✕ Calculator ✕ atom_E ✕ no_equ_23 ✕ no_equ_27 ✕ no_equ_31 ✕ plane_index ✕ no_equ_9 ✕
1 Cu54Li ratio:1.7,dipole:-2.867,distance:10.224,ads_E:-0.066 ratio:1.13,dipole:-3.714,distance:3.427,ads_E:-0.940 ratio:0.9,dipole:-0.645,distance:0.684,ads_E:-1.046 vasp -0.299 - - - 100 ratio:1.15,dipole:-3.511,distance:3.666,ads_E:-0.744
2 BeCu54 ratio:1.45,dipole:-0.0224294,distance:5.95106,ads_E:-0.00714774 ratio:1.13,dipole:-0.472991,distance:2.41168,ads_E:-1.3327 ratio:0.9,dipole:0.302883,distance:-0.132247,ads_E:-2.36046 vasp -0.039 - - - 100 ratio:1.16,dipole:-0.39644,distance:2.7435,ads_E:-0.772653
3 Cu54B ratio:1.900,dipole:-0.558,distance:9.794,ads_E:-0.180 ratio:1.130,dipole:0.870,distance:1.717,ads_E:-4.122 ratio:0.900,dipole:-0.012,distance:-0.696,ads_E:-4.781 vasp -0.349 - - - 100 ratio:1.160,dipole:0.981,distance:2.032,ads_E:-3.278
4 Cu54C ratio:1.45,dipole:2.19263,distance:4.95146,ads_E:-0.182345 ratio:1.13,dipole:1.19768,distance:1.61969,ads_E:-4.67472 ratio:0.9,dipole:-0.0331232,distance:-0.775014,ads_E:-5.11493 vasp -1.248 - - - 100 ratio:1.16,dipole:1.37647,distance:1.93205,ads_E:-3.75037
5 Cu54N ratio:1.4,dipole:-0.095,distance:4.680,ads_E:-0.016 ratio:1.13,dipole:1.347,distance:1.752,ads_E:-2.917 ratio:0.9,dipole:-0.149,distance:-0.666,ads_E:-3.448 vasp -3.124 - - - 100 ratio:1.16,dipole:1.554,distance:2.068,ads_E:-1.933
6 Cu54O ratio:1.900,dipole:6.642,distance:10.576,ads_E:-0.174 ratio:1.130,dipole:1.922,distance:2.193,ads_E:-2.973 ratio:0.900,dipole:-0.175,distance:-0.311,ads_E:-4.372 vasp -1.533 - - - 100 ratio:1.160,dipole:2.453,distance:2.519,ads_E:-1.842
7 Cu54F ratio:1.900,dipole:13.468,distance:11.427,ads_E:-0.666 ratio:1.130,dipole:4.250,distance:2.711,ads_E:-2.537 ratio:0.900,dipole:-0.137,distance:0.107,ads_E:-3.084 vasp -0.424 - - - 100 ratio:1.160,dipole:5.403,distance:3.050,ads_E:-2.006
8 Cu54Ar ratio:1.18,dipole:0.006,distance:5.987,ads_E:-0.007 ratio:1.04,dipole:-0.018,distance:4.088,ads_E:-0.017 ratio:0.9,dipole:-0.757,distance:2.324,ads_E:0.500 vasp -0.025 ratio:1.34,dipole:0.001,distance:8.158,ads_E:-0.005 ratio:1.42,dipole:0.000,distance:9.243,ads_E:-0.005 ratio:1.5,dipole:0.000,distance:10.329,ads_E:-0.005 100 ratio:1.06,dipole:-0.003,distance:4.359,ads_E:-0.016