ASE database

Displaying rows 1-8 out of 8
↓ ID ✕ Formula ✕ Charge ✕ str_E ✕ plane_index ✕ no_equ_16 ✕ no_equ_27 ✕ no_equ_1 ✕ no_equ_4 ✕ no_equ_17 ✕ no_equ_9 ✕ no_equ_14 ✕
1 Cu54Li 0.000 -193.113 100 ratio:1.9,dipole:-3.128,distance:12.609,ads_E:-0.058 - ratio:0.9,dipole:-0.645,distance:0.684,ads_E:-1.046 ratio:1,dipole:-2.353,distance:1.877,ads_E:-2.141 - ratio:1.15,dipole:-3.511,distance:3.666,ads_E:-0.744 ratio:1.5,dipole:-2.645,distance:7.839,ads_E:-0.084
2 BeCu54 0.000 -193.566 100 ratio:1.5,dipole:-0.0113499,distance:6.50408,ads_E:-0.00416696 - ratio:0.9,dipole:0.302883,distance:-0.132247,ads_E:-2.36046 ratio:1,dipole:0.00345513,distance:0.973808,ads_E:-2.95616 ratio:1.55,dipole:-0.00631543,distance:7.10066,ads_E:-0.00261613 ratio:1.16,dipole:-0.39644,distance:2.7435,ads_E:-0.772653 ratio:1.4,dipole:-0.047443,distance:5.39803,ads_E:-0.0134448
3 Cu54B 0.000 -196.413 100 ratio:2.000,dipole:-1.008,distance:10.843,ads_E:-0.007 - ratio:0.900,dipole:-0.012,distance:-0.696,ads_E:-4.781 ratio:1.000,dipole:0.557,distance:0.353,ads_E:-5.662 ratio:2.100,dipole:-0.833,distance:11.891,ads_E:-0.007 ratio:1.160,dipole:0.981,distance:2.032,ads_E:-3.278 ratio:1.500,dipole:-0.465,distance:5.598,ads_E:-0.193
4 Cu54C 0.000 -198.094 100 ratio:1.51,dipole:2.9677,distance:5.57616,ads_E:-0.10513 - ratio:0.9,dipole:-0.0331232,distance:-0.775014,ads_E:-5.11493 ratio:1,dipole:0.52283,distance:0.266163,ads_E:-6.42427 ratio:1.55,dipole:3.07149,distance:5.99264,ads_E:-0.095025 ratio:1.16,dipole:1.37647,distance:1.93205,ads_E:-3.75037 ratio:1.4,dipole:2.63066,distance:4.43087,ads_E:-0.175371
5 Cu54N 0.000 -198.315 100 ratio:1.45,dipole:0.007,distance:5.116,ads_E:-0.007 - ratio:0.9,dipole:-0.149,distance:-0.666,ads_E:-3.448 ratio:1,dipole:0.368,distance:0.386,ads_E:-4.725 ratio:1.5,dipole:0.030,distance:5.736,ads_E:-0.004 ratio:1.16,dipole:1.554,distance:2.068,ads_E:-1.933 ratio:1.36,dipole:-0.067,distance:4.254,ads_E:-0.030
6 Cu54O 0.000 -197.510 100 ratio:2.100,dipole:4.187,distance:12.753,ads_E:-0.168 - ratio:0.900,dipole:-0.175,distance:-0.311,ads_E:-4.372 ratio:1.000,dipole:0.486,distance:0.778,ads_E:-5.406 - ratio:1.160,dipole:2.453,distance:2.519,ads_E:-1.842 ratio:1.550,dipole:3.996,distance:6.765,ads_E:-0.507
7 Cu54F 0.000 -195.280 100 - - ratio:0.900,dipole:-0.137,distance:0.107,ads_E:-3.084 ratio:1.000,dipole:0.693,distance:1.239,ads_E:-4.335 - ratio:1.160,dipole:5.403,distance:3.050,ads_E:-2.006 ratio:1.600,dipole:10.431,distance:8.031,ads_E:-0.769
8 Cu54Ar 0.000 -190.598 100 ratio:1.2,dipole:0.005,distance:6.259,ads_E:-0.006 ratio:1.42,dipole:0.000,distance:9.243,ads_E:-0.005 ratio:0.9,dipole:-0.757,distance:2.324,ads_E:0.500 ratio:0.96,dipole:-0.291,distance:3.002,ads_E:0.057 ratio:1.22,dipole:0.004,distance:6.530,ads_E:-0.006 ratio:1.06,dipole:-0.003,distance:4.359,ads_E:-0.016 ratio:1.16,dipole:0.006,distance:5.716,ads_E:-0.008