ASE database

Displaying rows 1-8 out of 8
↓ ID ✕ Formula ✕ no_equ_27 ✕ no_equ_9 ✕ no_equ_13 ✕ Volume ✕ no_equ_20 ✕ Energy ✕ no_equ_14 ✕ plane_index ✕ Mass ✕ no_equ_5 ✕ atom_E ✕ Username ✕ no_equ_1 ✕ Number of atoms ✕
1 Cu54Li - ratio:1.15,dipole:-3.511,distance:3.666,ads_E:-0.744 ratio:1.35,dipole:-2.533,distance:6.051,ads_E:-0.126 1730.483 - -193.113 ratio:1.5,dipole:-2.645,distance:7.839,ads_E:-0.084 100 3438.424 ratio:1.03,dipole:-2.924,distance:2.235,ads_E:-2.040 -0.299 hecc ratio:0.9,dipole:-0.645,distance:0.684,ads_E:-1.046 55
2 BeCu54 - ratio:1.16,dipole:-0.39644,distance:2.7435,ads_E:-0.772653 ratio:1.35,dipole:-0.0991408,distance:4.845,ads_E:-0.0276465 1730.483 - -193.566 ratio:1.4,dipole:-0.047443,distance:5.39803,ads_E:-0.0134448 100 3440.496 ratio:1.03,dipole:-0.173906,distance:1.30562,ads_E:-2.87935 -0.039 hecc ratio:0.9,dipole:0.302883,distance:-0.132247,ads_E:-2.36046 55
3 Cu54B - ratio:1.160,dipole:0.981,distance:2.032,ads_E:-3.278 ratio:1.400,dipole:-0.694,distance:4.626,ads_E:-0.236 1730.483 - -196.413 ratio:1.500,dipole:-0.465,distance:5.598,ads_E:-0.193 100 3442.294 ratio:1.030,dipole:0.635,distance:0.668,ads_E:-5.579 -0.349 hecc ratio:0.900,dipole:-0.012,distance:-0.696,ads_E:-4.781 55
4 Cu54C - ratio:1.16,dipole:1.37647,distance:1.93205,ads_E:-3.75037 ratio:1.35,dipole:2.50975,distance:3.91028,ads_E:-0.271632 1730.483 ratio:2.1,dipole:5.51535,distance:11.7191,ads_E:-0.0591715 -198.094 ratio:1.4,dipole:2.63066,distance:4.43087,ads_E:-0.175371 100 3443.495 ratio:1.03,dipole:0.653681,distance:0.578516,ads_E:-6.33223 -1.248 hecc ratio:0.9,dipole:-0.0331232,distance:-0.775014,ads_E:-5.11493 55
5 Cu54N - ratio:1.16,dipole:1.554,distance:2.068,ads_E:-1.933 ratio:1.33,dipole:0.416,distance:3.855,ads_E:-0.042 1730.483 - -198.315 ratio:1.36,dipole:-0.067,distance:4.254,ads_E:-0.030 100 3445.491 ratio:1.03,dipole:0.566,distance:0.701,ads_E:-4.655 -3.124 hecc ratio:0.9,dipole:-0.149,distance:-0.666,ads_E:-3.448 55
6 Cu54O - ratio:1.160,dipole:2.453,distance:2.519,ads_E:-1.842 ratio:1.350,dipole:3.982,distance:4.588,ads_E:-0.321 1730.483 - -197.510 ratio:1.550,dipole:3.996,distance:6.765,ads_E:-0.507 100 3447.483 ratio:1.030,dipole:0.754,distance:1.104,ads_E:-5.283 -1.533 hecc ratio:0.900,dipole:-0.175,distance:-0.311,ads_E:-4.372 55
7 Cu54F - ratio:1.160,dipole:5.403,distance:3.050,ads_E:-2.006 ratio:1.550,dipole:9.933,distance:7.465,ads_E:-0.801 1730.483 - -195.280 ratio:1.600,dipole:10.431,distance:8.031,ads_E:-0.769 100 3450.482 ratio:1.030,dipole:1.159,distance:1.579,ads_E:-4.212 -0.424 hecc ratio:0.900,dipole:-0.137,distance:0.107,ads_E:-3.084 55
8 Cu54Ar ratio:1.42,dipole:0.000,distance:9.243,ads_E:-0.005 ratio:1.06,dipole:-0.003,distance:4.359,ads_E:-0.016 ratio:1.14,dipole:0.008,distance:5.445,ads_E:-0.009 1730.483 ratio:1.28,dipole:0.001,distance:7.344,ads_E:-0.005 -190.598 ratio:1.16,dipole:0.006,distance:5.716,ads_E:-0.008 100 3471.432 ratio:0.98,dipole:-0.177,distance:3.274,ads_E:0.014 -0.025 hecc ratio:0.9,dipole:-0.757,distance:2.324,ads_E:0.500 55