ASE database

Displaying rows 1-8 out of 8
↓ ID ✕ Formula ✕ no_equ_10 ✕ Energy ✕ Age ✕ PBC ✕ plane_index ✕ str_E ✕ no_equ_15 ✕ distance ✕ no_equ_7 ✕
1 Cu54Li ratio:1.17,dipole:-3.222,distance:3.904,ads_E:-0.582 -193.113 13M TTT 100 -193.113 ratio:1.7,dipole:-2.867,distance:10.224,ads_E:-0.066 1.865 ratio:1.1,dipole:-4.039,distance:3.069,ads_E:-1.290
2 BeCu54 ratio:1.2,dipole:-0.359907,distance:3.18592,ads_E:-0.372501 -193.566 13M TTT 100 -193.566 ratio:1.45,dipole:-0.0224294,distance:5.95106,ads_E:-0.00714774 1.012 ratio:1.1,dipole:-0.434967,distance:2.07986,ads_E:-1.97799
3 Cu54B ratio:1.200,dipole:0.935,distance:2.451,ads_E:-2.045 -196.413 13M TTT 100 -196.413 ratio:1.900,dipole:-0.558,distance:9.794,ads_E:-0.180 0.409 ratio:1.100,dipole:0.778,distance:1.402,ads_E:-4.794
4 Cu54C ratio:1.2,dipole:1.54212,distance:2.34852,ads_E:-2.29339 -198.094 13M TTT 100 -198.094 ratio:1.45,dipole:2.19263,distance:4.95146,ads_E:-0.182345 0.260 ratio:1.1,dipole:1.00519,distance:1.30734,ads_E:-5.4061
5 Cu54N ratio:1.2,dipole:1.380,distance:2.488,ads_E:-0.433 -198.315 13M TTT 100 -198.315 ratio:1.4,dipole:-0.095,distance:4.680,ads_E:-0.016 0.399 ratio:1.1,dipole:1.088,distance:1.437,ads_E:-3.705
6 Cu54O ratio:1.200,dipole:3.021,distance:2.955,ads_E:-0.945 -197.510 13M TTT 100 -197.510 ratio:1.900,dipole:6.642,distance:10.576,ads_E:-0.174 0.772 ratio:1.100,dipole:1.502,distance:1.866,ads_E:-3.941
7 Cu54F ratio:1.250,dipole:6.761,distance:4.069,ads_E:-1.287 -195.280 13M TTT 100 -195.280 ratio:1.900,dipole:13.468,distance:11.427,ads_E:-0.666 1.238 ratio:1.100,dipole:3.086,distance:2.371,ads_E:-3.138
8 Cu54Ar ratio:1.08,dipole:0.005,distance:4.631,ads_E:-0.014 -190.598 13M TTT 100 -190.598 ratio:1.18,dipole:0.006,distance:5.987,ads_E:-0.007 3.861 ratio:1.02,dipole:-0.049,distance:3.817,ads_E:-0.015