ASE database

Displaying rows 1-25 out of 594
↓ ID ✕ Formula ✕ Volume ✕ no_equ_22 ✕ no_equ_4 ✕ no_equ_27 ✕ no_equ_1 ✕ no_equ_6 ✕ slab_E ✕ no_equ_24 ✕ no_equ_13 ✕ no_equ_12 ✕
1 Cu54Li 1730.483 - ratio:1,dipole:-2.353,distance:1.877,ads_E:-2.141 - ratio:0.9,dipole:-0.645,distance:0.684,ads_E:-1.046 ratio:1.06,dipole:-3.520,distance:2.592,ads_E:-1.776 -190.592 - ratio:1.35,dipole:-2.533,distance:6.051,ads_E:-0.126 ratio:1.3,dipole:-2.555,distance:5.454,ads_E:-0.165
2 BeCu54 1730.483 - ratio:1,dipole:0.00345513,distance:0.973808,ads_E:-2.95616 - ratio:0.9,dipole:0.302883,distance:-0.132247,ads_E:-2.36046 ratio:1.06,dipole:-0.280091,distance:1.63744,ads_E:-2.62506 -190.592 - ratio:1.35,dipole:-0.0991408,distance:4.845,ads_E:-0.0276465 ratio:1.3,dipole:-0.18803,distance:4.29197,ads_E:-0.0630632
3 Cu54B 1730.483 - ratio:1.000,dipole:0.557,distance:0.353,ads_E:-5.662 - ratio:0.900,dipole:-0.012,distance:-0.696,ads_E:-4.781 ratio:1.060,dipole:0.683,distance:0.983,ads_E:-5.361 -190.592 - ratio:1.400,dipole:-0.694,distance:4.626,ads_E:-0.236 ratio:1.350,dipole:-0.748,distance:4.025,ads_E:-0.303
4 Cu54C 1730.483 - ratio:1,dipole:0.52283,distance:0.266163,ads_E:-6.42427 - ratio:0.9,dipole:-0.0331232,distance:-0.775014,ads_E:-5.11493 ratio:1.06,dipole:0.76872,distance:0.890869,ads_E:-6.06915 -190.592 - ratio:1.35,dipole:2.50975,distance:3.91028,ads_E:-0.271632 ratio:1.3,dipole:2.30687,distance:3.38969,ads_E:-0.486531
5 Cu54N 1730.483 - ratio:1,dipole:0.368,distance:0.386,ads_E:-4.725 - ratio:0.9,dipole:-0.149,distance:-0.666,ads_E:-3.448 ratio:1.06,dipole:0.760,distance:1.016,ads_E:-4.404 -190.592 - ratio:1.33,dipole:0.416,distance:3.855,ads_E:-0.042 ratio:1.3,dipole:0.575,distance:3.539,ads_E:-0.068
6 Cu54O 1730.483 - ratio:1.000,dipole:0.486,distance:0.778,ads_E:-5.406 - ratio:0.900,dipole:-0.175,distance:-0.311,ads_E:-4.372 ratio:1.060,dipole:1.037,distance:1.431,ads_E:-4.883 -190.592 - ratio:1.350,dipole:3.982,distance:4.588,ads_E:-0.321 ratio:1.310,dipole:3.768,distance:4.152,ads_E:-0.372
7 Cu54F 1730.483 - ratio:1.000,dipole:0.693,distance:1.239,ads_E:-4.335 - ratio:0.900,dipole:-0.137,distance:0.107,ads_E:-3.084 ratio:1.060,dipole:1.787,distance:1.918,ads_E:-3.859 -190.592 - ratio:1.550,dipole:9.933,distance:7.465,ads_E:-0.801 ratio:1.450,dipole:8.949,distance:6.333,ads_E:-0.889
8 Cu54Ar 1730.483 ratio:1.32,dipole:0.002,distance:7.887,ads_E:-0.005 ratio:0.96,dipole:-0.291,distance:3.002,ads_E:0.057 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:1,dipole:-0.100,distance:3.545,ads_E:-0.007 -190.592 ratio:1.36,dipole:0.001,distance:8.429,ads_E:-0.005 ratio:1.14,dipole:0.008,distance:5.445,ads_E:-0.009 ratio:1.12,dipole:0.009,distance:5.173,ads_E:-0.010