ASE database

Displaying rows 1-8 out of 8
↓ ID ✕ Formula ✕ no_equ_5 ✕ str_E ✕ no_equ_4 ✕ no_equ_21 ✕ no_equ_28 ✕ no_equ_14 ✕ no_equ_7 ✕ Magnetic moment ✕ Volume ✕ no_equ_2 ✕ no_equ_25 ✕ plane_index ✕ no_equ_9 ✕
1 Cu54Li ratio:1.03,dipole:-2.924,distance:2.235,ads_E:-2.040 -193.113 ratio:1,dipole:-2.353,distance:1.877,ads_E:-2.141 - - ratio:1.5,dipole:-2.645,distance:7.839,ads_E:-0.084 ratio:1.1,dipole:-4.039,distance:3.069,ads_E:-1.290 0.000 1730.483 ratio:0.93,dipole:-1.125,distance:1.042,ads_E:-1.567 - 100 ratio:1.15,dipole:-3.511,distance:3.666,ads_E:-0.744
2 BeCu54 ratio:1.03,dipole:-0.173906,distance:1.30562,ads_E:-2.87935 -193.566 ratio:1,dipole:0.00345513,distance:0.973808,ads_E:-2.95616 - - ratio:1.4,dipole:-0.047443,distance:5.39803,ads_E:-0.0134448 ratio:1.1,dipole:-0.434967,distance:2.07986,ads_E:-1.97799 -0.000 1730.483 ratio:0.93,dipole:0.340153,distance:0.19957,ads_E:-2.58415 - 100 ratio:1.16,dipole:-0.39644,distance:2.7435,ads_E:-0.772653
3 Cu54B ratio:1.030,dipole:0.635,distance:0.668,ads_E:-5.579 -196.413 ratio:1.000,dipole:0.557,distance:0.353,ads_E:-5.662 - - ratio:1.500,dipole:-0.465,distance:5.598,ads_E:-0.193 ratio:1.100,dipole:0.778,distance:1.402,ads_E:-4.794 0.000 1730.483 ratio:0.930,dipole:0.209,distance:-0.381,ads_E:-5.180 - 100 ratio:1.160,dipole:0.981,distance:2.032,ads_E:-3.278
4 Cu54C ratio:1.03,dipole:0.653681,distance:0.578516,ads_E:-6.33223 -198.094 ratio:1,dipole:0.52283,distance:0.266163,ads_E:-6.42427 ratio:2.2,dipole:7.59718,distance:12.7603,ads_E:-0.0579928 - ratio:1.4,dipole:2.63066,distance:4.43087,ads_E:-0.175371 ratio:1.1,dipole:1.00519,distance:1.30734,ads_E:-5.4061 -0.000 1730.483 ratio:0.93,dipole:0.104359,distance:-0.462661,ads_E:-5.77067 - 100 ratio:1.16,dipole:1.37647,distance:1.93205,ads_E:-3.75037
5 Cu54N ratio:1.03,dipole:0.566,distance:0.701,ads_E:-4.655 -198.315 ratio:1,dipole:0.368,distance:0.386,ads_E:-4.725 - - ratio:1.36,dipole:-0.067,distance:4.254,ads_E:-0.030 ratio:1.1,dipole:1.088,distance:1.437,ads_E:-3.705 -0.000 1730.483 ratio:0.93,dipole:-0.001,distance:-0.350,ads_E:-4.156 - 100 ratio:1.16,dipole:1.554,distance:2.068,ads_E:-1.933
6 Cu54O ratio:1.030,dipole:0.754,distance:1.104,ads_E:-5.283 -197.510 ratio:1.000,dipole:0.486,distance:0.778,ads_E:-5.406 - - ratio:1.550,dipole:3.996,distance:6.765,ads_E:-0.507 ratio:1.100,dipole:1.502,distance:1.866,ads_E:-3.941 0.000 1730.483 ratio:0.930,dipole:-0.058,distance:0.015,ads_E:-4.909 - 100 ratio:1.160,dipole:2.453,distance:2.519,ads_E:-1.842
7 Cu54F ratio:1.030,dipole:1.159,distance:1.579,ads_E:-4.212 -195.280 ratio:1.000,dipole:0.693,distance:1.239,ads_E:-4.335 - - ratio:1.600,dipole:10.431,distance:8.031,ads_E:-0.769 ratio:1.100,dipole:3.086,distance:2.371,ads_E:-3.138 -0.000 1730.483 ratio:0.930,dipole:0.015,distance:0.447,ads_E:-3.637 - 100 ratio:1.160,dipole:5.403,distance:3.050,ads_E:-2.006
8 Cu54Ar ratio:0.98,dipole:-0.177,distance:3.274,ads_E:0.014 -190.598 ratio:0.96,dipole:-0.291,distance:3.002,ads_E:0.057 ratio:1.3,dipole:0.002,distance:7.615,ads_E:-0.005 ratio:1.44,dipole:0.000,distance:9.515,ads_E:-0.005 ratio:1.16,dipole:0.006,distance:5.716,ads_E:-0.008 ratio:1.02,dipole:-0.049,distance:3.817,ads_E:-0.015 -0.000 1730.483 ratio:0.92,dipole:-0.596,distance:2.460,ads_E:0.278 ratio:1.38,dipole:0.000,distance:8.701,ads_E:-0.005 100 ratio:1.06,dipole:-0.003,distance:4.359,ads_E:-0.016