ASE database

Displaying rows 1-8 out of 8
↓ ID ✕ Formula ✕ no_equ_8 ✕ no_equ_19 ✕ no_equ_2 ✕ no_equ_5 ✕ Energy ✕ ads_site ✕ Maximum force ✕ slab_E ✕ no_equ_10 ✕ no_equ_17 ✕
1 Cu54Li ratio:1.13,dipole:-3.714,distance:3.427,ads_E:-0.940 - ratio:0.93,dipole:-1.125,distance:1.042,ads_E:-1.567 ratio:1.03,dipole:-2.924,distance:2.235,ads_E:-2.040 -193.113 f 0.009 -190.592 ratio:1.17,dipole:-3.222,distance:3.904,ads_E:-0.582 -
2 BeCu54 ratio:1.13,dipole:-0.472991,distance:2.41168,ads_E:-1.3327 - ratio:0.93,dipole:0.340153,distance:0.19957,ads_E:-2.58415 ratio:1.03,dipole:-0.173906,distance:1.30562,ads_E:-2.87935 -193.566 f 0.010 -190.592 ratio:1.2,dipole:-0.359907,distance:3.18592,ads_E:-0.372501 ratio:1.55,dipole:-0.00631543,distance:7.10066,ads_E:-0.00261613
3 Cu54B ratio:1.130,dipole:0.870,distance:1.717,ads_E:-4.122 - ratio:0.930,dipole:0.209,distance:-0.381,ads_E:-5.180 ratio:1.030,dipole:0.635,distance:0.668,ads_E:-5.579 -196.413 f 0.005 -190.592 ratio:1.200,dipole:0.935,distance:2.451,ads_E:-2.045 ratio:2.100,dipole:-0.833,distance:11.891,ads_E:-0.007
4 Cu54C ratio:1.13,dipole:1.19768,distance:1.61969,ads_E:-4.67472 ratio:1.8,dipole:3.74248,distance:8.59558,ads_E:-0.0684837 ratio:0.93,dipole:0.104359,distance:-0.462661,ads_E:-5.77067 ratio:1.03,dipole:0.653681,distance:0.578516,ads_E:-6.33223 -198.094 f 0.010 -190.592 ratio:1.2,dipole:1.54212,distance:2.34852,ads_E:-2.29339 ratio:1.55,dipole:3.07149,distance:5.99264,ads_E:-0.095025
5 Cu54N ratio:1.13,dipole:1.347,distance:1.752,ads_E:-2.917 ratio:1.6,dipole:0.009,distance:6.693,ads_E:-0.002 ratio:0.93,dipole:-0.001,distance:-0.350,ads_E:-4.156 ratio:1.03,dipole:0.566,distance:0.701,ads_E:-4.655 -198.315 f 0.005 -190.592 ratio:1.2,dipole:1.380,distance:2.488,ads_E:-0.433 ratio:1.5,dipole:0.030,distance:5.736,ads_E:-0.004
6 Cu54O ratio:1.130,dipole:1.922,distance:2.193,ads_E:-2.973 - ratio:0.930,dipole:-0.058,distance:0.015,ads_E:-4.909 ratio:1.030,dipole:0.754,distance:1.104,ads_E:-5.283 -197.510 f 0.008 -190.592 ratio:1.200,dipole:3.021,distance:2.955,ads_E:-0.945 -
7 Cu54F ratio:1.130,dipole:4.250,distance:2.711,ads_E:-2.537 - ratio:0.930,dipole:0.015,distance:0.447,ads_E:-3.637 ratio:1.030,dipole:1.159,distance:1.579,ads_E:-4.212 -195.280 f 0.006 -190.592 ratio:1.250,dipole:6.761,distance:4.069,ads_E:-1.287 -
8 Cu54Ar ratio:1.04,dipole:-0.018,distance:4.088,ads_E:-0.017 ratio:1.26,dipole:0.002,distance:7.073,ads_E:-0.005 ratio:0.92,dipole:-0.596,distance:2.460,ads_E:0.278 ratio:0.98,dipole:-0.177,distance:3.274,ads_E:0.014 -190.598 f 0.007 -190.592 ratio:1.08,dipole:0.005,distance:4.631,ads_E:-0.014 ratio:1.22,dipole:0.004,distance:6.530,ads_E:-0.006