ASE database

Displaying rows 1-8 out of 8
↓ ID ✕ Formula ✕ no_equ_4 ✕ no_equ_9 ✕ no_equ_14 ✕ Volume ✕ Energy ✕ no_equ_3 ✕ Charge ✕ no_equ_13 ✕
1 Cu54Li 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 1730.483 -193.113 ratio:0.96,dipole:-1.624,distance:1.400,ads_E:-1.949 0.000 ratio:1.35,dipole:-2.533,distance:6.051,ads_E:-0.126
2 BeCu54 ratio:1,dipole:0.00345513,distance:0.973808,ads_E:-2.95616 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 1730.483 -193.566 ratio:0.96,dipole:0.234375,distance:0.531386,ads_E:-2.83237 0.000 ratio:1.35,dipole:-0.0991408,distance:4.845,ads_E:-0.0276465
3 Cu54B ratio:1.000,dipole:0.557,distance:0.353,ads_E:-5.662 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 1730.483 -196.413 ratio:0.960,dipole:0.398,distance:-0.066,ads_E:-5.490 0.000 ratio:1.400,dipole:-0.694,distance:4.626,ads_E:-0.236
4 Cu54C ratio:1,dipole:0.52283,distance:0.266163,ads_E:-6.42427 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 1730.483 -198.094 ratio:0.96,dipole:0.291413,distance:-0.150308,ads_E:-6.20762 0.000 ratio:1.35,dipole:2.50975,distance:3.91028,ads_E:-0.271632
5 Cu54N ratio:1,dipole:0.368,distance:0.386,ads_E:-4.725 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 1730.483 -198.315 ratio:0.96,dipole:0.160,distance:-0.035,ads_E:-4.570 0.000 ratio:1.33,dipole:0.416,distance:3.855,ads_E:-0.042
6 Cu54O 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 1730.483 -197.510 ratio:0.960,dipole:0.131,distance:0.342,ads_E:-5.226 0.000 ratio:1.350,dipole:3.982,distance:4.588,ads_E:-0.321
7 Cu54F 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 1730.483 -195.280 ratio:0.960,dipole:0.260,distance:0.787,ads_E:-4.090 0.000 ratio:1.550,dipole:9.933,distance:7.465,ads_E:-0.801
8 Cu54Ar ratio:0.96,dipole:-0.291,distance:3.002,ads_E:0.057 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 1730.483 -190.598 ratio:0.94,dipole:-0.431,distance:2.731,ads_E:0.139 0.000 ratio:1.14,dipole:0.008,distance:5.445,ads_E:-0.009