ASE database

Displaying rows 1-8 out of 8
↓ ID ✕ Formula ✕ no_equ_8 ✕ no_equ_29 ✕ no_equ_10 ✕ Age ✕ Number of atoms ✕ no_equ_25 ✕ plane_index ✕ no_equ_20 ✕ no_equ_2 ✕ no_equ_30 ✕ no_equ_26 ✕ Username ✕ Maximum force ✕ no_equ_17 ✕ no_equ_4 ✕ no_equ_11 ✕ Charge ✕ slab_E ✕ no_equ_22 ✕ no_equ_1 ✕
1 Cu54Li ratio:1.13,dipole:-3.714,distance:3.427,ads_E:-0.940 - ratio:1.17,dipole:-3.222,distance:3.904,ads_E:-0.582 13M 55 - 100 - ratio:0.93,dipole:-1.125,distance:1.042,ads_E:-1.567 - - hecc 0.009 - ratio:1,dipole:-2.353,distance:1.877,ads_E:-2.141 ratio:1.25,dipole:-2.667,distance:4.858,ads_E:-0.244 0.000 -190.592 - ratio:0.9,dipole:-0.645,distance:0.684,ads_E:-1.046
2 BeCu54 ratio:1.13,dipole:-0.472991,distance:2.41168,ads_E:-1.3327 - ratio:1.2,dipole:-0.359907,distance:3.18592,ads_E:-0.372501 13M 55 - 100 - ratio:0.93,dipole:0.340153,distance:0.19957,ads_E:-2.58415 - - hecc 0.010 ratio:1.55,dipole:-0.00631543,distance:7.10066,ads_E:-0.00261613 ratio:1,dipole:0.00345513,distance:0.973808,ads_E:-2.95616 ratio:1.25,dipole:-0.291055,distance:3.73895,ads_E:-0.152313 0.000 -190.592 - ratio:0.9,dipole:0.302883,distance:-0.132247,ads_E:-2.36046
3 Cu54B ratio:1.130,dipole:0.870,distance:1.717,ads_E:-4.122 - ratio:1.200,dipole:0.935,distance:2.451,ads_E:-2.045 13M 55 - 100 - ratio:0.930,dipole:0.209,distance:-0.381,ads_E:-5.180 - - hecc 0.005 ratio:2.100,dipole:-0.833,distance:11.891,ads_E:-0.007 ratio:1.000,dipole:0.557,distance:0.353,ads_E:-5.662 ratio:1.250,dipole:-0.107,distance:2.976,ads_E:-0.989 0.000 -190.592 - ratio:0.900,dipole:-0.012,distance:-0.696,ads_E:-4.781
4 Cu54C ratio:1.13,dipole:1.19768,distance:1.61969,ads_E:-4.67472 - ratio:1.2,dipole:1.54212,distance:2.34852,ads_E:-2.29339 13M 55 - 100 ratio:2.1,dipole:5.51535,distance:11.7191,ads_E:-0.0591715 ratio:0.93,dipole:0.104359,distance:-0.462661,ads_E:-5.77067 - - hecc 0.010 ratio:1.55,dipole:3.07149,distance:5.99264,ads_E:-0.095025 ratio:1,dipole:0.52283,distance:0.266163,ads_E:-6.42427 ratio:1.25,dipole:1.94527,distance:2.86911,ads_E:-0.945693 0.000 -190.592 - ratio:0.9,dipole:-0.0331232,distance:-0.775014,ads_E:-5.11493
5 Cu54N ratio:1.13,dipole:1.347,distance:1.752,ads_E:-2.917 - ratio:1.2,dipole:1.380,distance:2.488,ads_E:-0.433 13M 55 - 100 - ratio:0.93,dipole:-0.001,distance:-0.350,ads_E:-4.156 - - hecc 0.005 ratio:1.5,dipole:0.030,distance:5.736,ads_E:-0.004 ratio:1,dipole:0.368,distance:0.386,ads_E:-4.725 ratio:1.25,dipole:0.908,distance:3.014,ads_E:-0.162 0.000 -190.592 - ratio:0.9,dipole:-0.149,distance:-0.666,ads_E:-3.448
6 Cu54O ratio:1.130,dipole:1.922,distance:2.193,ads_E:-2.973 - ratio:1.200,dipole:3.021,distance:2.955,ads_E:-0.945 13M 55 - 100 - ratio:0.930,dipole:-0.058,distance:0.015,ads_E:-4.909 - - hecc 0.008 - ratio:1.000,dipole:0.486,distance:0.778,ads_E:-5.406 ratio:1.250,dipole:3.446,distance:3.499,ads_E:-0.537 0.000 -190.592 - ratio:0.900,dipole:-0.175,distance:-0.311,ads_E:-4.372
7 Cu54F ratio:1.130,dipole:4.250,distance:2.711,ads_E:-2.537 - ratio:1.250,dipole:6.761,distance:4.069,ads_E:-1.287 13M 55 - 100 - ratio:0.930,dipole:0.015,distance:0.447,ads_E:-3.637 - - hecc 0.006 - ratio:1.000,dipole:0.693,distance:1.239,ads_E:-4.335 ratio:1.300,dipole:7.369,distance:4.635,ads_E:-1.125 0.000 -190.592 - ratio:0.900,dipole:-0.137,distance:0.107,ads_E:-3.084
8 Cu54Ar ratio:1.04,dipole:-0.018,distance:4.088,ads_E:-0.017 ratio:1.46,dipole:0.000,distance:9.786,ads_E:-0.005 ratio:1.08,dipole:0.005,distance:4.631,ads_E:-0.014 13M 55 ratio:1.38,dipole:0.000,distance:8.701,ads_E:-0.005 100 ratio:1.28,dipole:0.001,distance:7.344,ads_E:-0.005 ratio:0.92,dipole:-0.596,distance:2.460,ads_E:0.278 ratio:1.48,dipole:0.000,distance:10.057,ads_E:-0.005 ratio:1.4,dipole:0.000,distance:8.972,ads_E:-0.005 hecc 0.007 ratio:1.22,dipole:0.004,distance:6.530,ads_E:-0.006 ratio:0.96,dipole:-0.291,distance:3.002,ads_E:0.057 ratio:1.1,dipole:0.008,distance:4.902,ads_E:-0.012 0.000 -190.592 ratio:1.32,dipole:0.002,distance:7.887,ads_E:-0.005 ratio:0.9,dipole:-0.757,distance:2.324,ads_E:0.500