ASE database

Displaying rows 1-8 out of 8
↓ ID ✕ Formula ✕ PBC ✕ Age ✕ Dipole_val ✕ no_equ_31 ✕ no_equ_3 ✕ no_equ_29 ✕ no_equ_24 ✕ no_equ_7 ✕ str_E ✕ no_equ_19 ✕
1 Cu54Li TTT 13M -2.989 - ratio:0.96,dipole:-1.624,distance:1.400,ads_E:-1.949 - - ratio:1.1,dipole:-4.039,distance:3.069,ads_E:-1.290 -193.113 -
2 BeCu54 TTT 13M -0.069 - ratio:0.96,dipole:0.234375,distance:0.531386,ads_E:-2.83237 - - ratio:1.1,dipole:-0.434967,distance:2.07986,ads_E:-1.97799 -193.566 -
3 Cu54B TTT 13M 0.558 - ratio:0.960,dipole:0.398,distance:-0.066,ads_E:-5.490 - - ratio:1.100,dipole:0.778,distance:1.402,ads_E:-4.794 -196.413 -
4 Cu54C TTT 13M 0.431 - ratio:0.96,dipole:0.291413,distance:-0.150308,ads_E:-6.20762 - - ratio:1.1,dipole:1.00519,distance:1.30734,ads_E:-5.4061 -198.094 ratio:1.8,dipole:3.74248,distance:8.59558,ads_E:-0.0684837
5 Cu54N TTT 13M 0.356 - ratio:0.96,dipole:0.160,distance:-0.035,ads_E:-4.570 - - ratio:1.1,dipole:1.088,distance:1.437,ads_E:-3.705 -198.315 ratio:1.6,dipole:0.009,distance:6.693,ads_E:-0.002
6 Cu54O TTT 13M 0.473 - ratio:0.960,dipole:0.131,distance:0.342,ads_E:-5.226 - - ratio:1.100,dipole:1.502,distance:1.866,ads_E:-3.941 -197.510 -
7 Cu54F TTT 13M 0.677 - ratio:0.960,dipole:0.260,distance:0.787,ads_E:-4.090 - - ratio:1.100,dipole:3.086,distance:2.371,ads_E:-3.138 -195.280 -
8 Cu54Ar TTT 13M -0.049 ratio:1.5,dipole:0.000,distance:10.329,ads_E:-0.005 ratio:0.94,dipole:-0.431,distance:2.731,ads_E:0.139 ratio:1.46,dipole:0.000,distance:9.786,ads_E:-0.005 ratio:1.36,dipole:0.001,distance:8.429,ads_E:-0.005 ratio:1.02,dipole:-0.049,distance:3.817,ads_E:-0.015 -190.598 ratio:1.26,dipole:0.002,distance:7.073,ads_E:-0.005