ASE database

Displaying rows 1-25 out of 594
↓ ID ✕ Formula ✕ no_equ_7 ✕ slab_E ✕ Dipole_val ✕ no_equ_21 ✕ no_equ_27 ✕ str_E ✕ no_equ_18 ✕ no_equ_22 ✕ no_equ_24 ✕ no_equ_14 ✕
1 Cu54Li ratio:1.1,dipole:-4.039,distance:3.069,ads_E:-1.290 -190.592 -2.989 - - -193.113 - - - ratio:1.5,dipole:-2.645,distance:7.839,ads_E:-0.084
2 BeCu54 ratio:1.1,dipole:-0.434967,distance:2.07986,ads_E:-1.97799 -190.592 -0.069 - - -193.566 ratio:1.6,dipole:-0.00466727,distance:7.61014,ads_E:-0.0017761 - - ratio:1.4,dipole:-0.047443,distance:5.39803,ads_E:-0.0134448
3 Cu54B ratio:1.100,dipole:0.778,distance:1.402,ads_E:-4.794 -190.592 0.558 - - -196.413 - - - ratio:1.500,dipole:-0.465,distance:5.598,ads_E:-0.193
4 Cu54C ratio:1.1,dipole:1.00519,distance:1.30734,ads_E:-5.4061 -190.592 0.431 ratio:2.2,dipole:7.59718,distance:12.7603,ads_E:-0.0579928 - -198.094 ratio:1.6,dipole:3.20521,distance:6.61329,ads_E:-0.0862335 - - ratio:1.4,dipole:2.63066,distance:4.43087,ads_E:-0.175371
5 Cu54N ratio:1.1,dipole:1.088,distance:1.437,ads_E:-3.705 -190.592 0.356 - - -198.315 ratio:1.55,dipole:0.009,distance:6.168,ads_E:-0.002 - - ratio:1.36,dipole:-0.067,distance:4.254,ads_E:-0.030
6 Cu54O ratio:1.100,dipole:1.502,distance:1.866,ads_E:-3.941 -190.592 0.473 - - -197.510 - - - ratio:1.550,dipole:3.996,distance:6.765,ads_E:-0.507
7 Cu54F ratio:1.100,dipole:3.086,distance:2.371,ads_E:-3.138 -190.592 0.677 - - -195.280 - - - ratio:1.600,dipole:10.431,distance:8.031,ads_E:-0.769
8 Cu54Ar ratio:1.02,dipole:-0.049,distance:3.817,ads_E:-0.015 -190.592 -0.049 ratio:1.3,dipole:0.002,distance:7.615,ads_E:-0.005 ratio:1.42,dipole:0.000,distance:9.243,ads_E:-0.005 -190.598 ratio:1.24,dipole:0.002,distance:6.801,ads_E:-0.005 ratio:1.32,dipole:0.002,distance:7.887,ads_E:-0.005 ratio:1.36,dipole:0.001,distance:8.429,ads_E:-0.005 ratio:1.16,dipole:0.006,distance:5.716,ads_E:-0.008