ASE database

Displaying rows 1-8 out of 8
↓ ID ✕ Formula ✕ Dipole_val ✕ no_equ_24 ✕ no_equ_7 ✕ Volume ✕ no_equ_16 ✕ no_equ_25 ✕ no_equ_23 ✕ no_equ_10 ✕
1 Cu54Li -2.989 - ratio:1.1,dipole:-4.039,distance:3.069,ads_E:-1.290 1730.483 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
2 BeCu54 -0.069 - ratio:1.1,dipole:-0.434967,distance:2.07986,ads_E:-1.97799 1730.483 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
3 Cu54B 0.558 - ratio:1.100,dipole:0.778,distance:1.402,ads_E:-4.794 1730.483 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
4 Cu54C 0.431 - ratio:1.1,dipole:1.00519,distance:1.30734,ads_E:-5.4061 1730.483 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
5 Cu54N 0.356 - ratio:1.1,dipole:1.088,distance:1.437,ads_E:-3.705 1730.483 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
6 Cu54O 0.473 - ratio:1.100,dipole:1.502,distance:1.866,ads_E:-3.941 1730.483 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
7 Cu54F 0.677 - ratio:1.100,dipole:3.086,distance:2.371,ads_E:-3.138 1730.483 - - - ratio:1.250,dipole:6.761,distance:4.069,ads_E:-1.287
8 Cu54Ar -0.049 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 1730.483 ratio:1.2,dipole:0.005,distance:6.259,ads_E:-0.006 ratio:1.38,dipole:0.000,distance:8.701,ads_E:-0.005 ratio:1.34,dipole:0.001,distance:8.158,ads_E:-0.005 ratio:1.08,dipole:0.005,distance:4.631,ads_E:-0.014