ASE database

Displaying rows 1-8 out of 8
↓ ID ✕ Formula ✕ no_equ_15 ✕ no_equ_29 ✕ PBC ✕ no_equ_12 ✕ no_equ_25 ✕ no_equ_7 ✕ Dipole_val ✕
1 Cu54Li ratio:1.7,dipole:-2.867,distance:10.224,ads_E:-0.066 - TTT ratio:1.3,dipole:-2.555,distance:5.454,ads_E:-0.165 - ratio:1.1,dipole:-4.039,distance:3.069,ads_E:-1.290 -2.989
2 BeCu54 ratio:1.45,dipole:-0.0224294,distance:5.95106,ads_E:-0.00714774 - TTT ratio:1.3,dipole:-0.18803,distance:4.29197,ads_E:-0.0630632 - ratio:1.1,dipole:-0.434967,distance:2.07986,ads_E:-1.97799 -0.069
3 Cu54B ratio:1.900,dipole:-0.558,distance:9.794,ads_E:-0.180 - TTT ratio:1.350,dipole:-0.748,distance:4.025,ads_E:-0.303 - ratio:1.100,dipole:0.778,distance:1.402,ads_E:-4.794 0.558
4 Cu54C ratio:1.45,dipole:2.19263,distance:4.95146,ads_E:-0.182345 - TTT ratio:1.3,dipole:2.30687,distance:3.38969,ads_E:-0.486531 - ratio:1.1,dipole:1.00519,distance:1.30734,ads_E:-5.4061 0.431
5 Cu54N ratio:1.4,dipole:-0.095,distance:4.680,ads_E:-0.016 - TTT ratio:1.3,dipole:0.575,distance:3.539,ads_E:-0.068 - ratio:1.1,dipole:1.088,distance:1.437,ads_E:-3.705 0.356
6 Cu54O ratio:1.900,dipole:6.642,distance:10.576,ads_E:-0.174 - TTT ratio:1.310,dipole:3.768,distance:4.152,ads_E:-0.372 - ratio:1.100,dipole:1.502,distance:1.866,ads_E:-3.941 0.473
7 Cu54F ratio:1.900,dipole:13.468,distance:11.427,ads_E:-0.666 - TTT ratio:1.450,dipole:8.949,distance:6.333,ads_E:-0.889 - ratio:1.100,dipole:3.086,distance:2.371,ads_E:-3.138 0.677
8 Cu54Ar ratio:1.18,dipole:0.006,distance:5.987,ads_E:-0.007 ratio:1.46,dipole:0.000,distance:9.786,ads_E:-0.005 TTT ratio:1.12,dipole:0.009,distance:5.173,ads_E:-0.010 ratio:1.38,dipole:0.000,distance:8.701,ads_E:-0.005 ratio:1.02,dipole:-0.049,distance:3.817,ads_E:-0.015 -0.049