ASE database

Displaying rows 1-25 out of 594
↓ ID ✕ Formula ✕ distance ✕ Dipole_val ✕ no_equ_1 ✕ Maximum stress ✕ Energy ✕ no_equ_24 ✕ no_equ_8 ✕ no_equ_31 ✕ no_equ_22 ✕ Number of atoms ✕ Volume ✕ plane_index ✕ Magnetic moment ✕
1 Cu54Li 1.865 -2.989 ratio:0.9,dipole:-0.645,distance:0.684,ads_E:-1.046 0.009 -193.113 - ratio:1.13,dipole:-3.714,distance:3.427,ads_E:-0.940 - - 55 1730.483 100 0.000
2 BeCu54 1.012 -0.069 ratio:0.9,dipole:0.302883,distance:-0.132247,ads_E:-2.36046 0.008 -193.566 - ratio:1.13,dipole:-0.472991,distance:2.41168,ads_E:-1.3327 - - 55 1730.483 100 -0.000
3 Cu54B 0.409 0.558 ratio:0.900,dipole:-0.012,distance:-0.696,ads_E:-4.781 0.008 -196.413 - ratio:1.130,dipole:0.870,distance:1.717,ads_E:-4.122 - - 55 1730.483 100 0.000
4 Cu54C 0.260 0.431 ratio:0.9,dipole:-0.0331232,distance:-0.775014,ads_E:-5.11493 0.008 -198.094 - ratio:1.13,dipole:1.19768,distance:1.61969,ads_E:-4.67472 - - 55 1730.483 100 -0.000
5 Cu54N 0.399 0.356 ratio:0.9,dipole:-0.149,distance:-0.666,ads_E:-3.448 0.007 -198.315 - ratio:1.13,dipole:1.347,distance:1.752,ads_E:-2.917 - - 55 1730.483 100 -0.000
6 Cu54O 0.772 0.473 ratio:0.900,dipole:-0.175,distance:-0.311,ads_E:-4.372 0.009 -197.510 - ratio:1.130,dipole:1.922,distance:2.193,ads_E:-2.973 - - 55 1730.483 100 0.000
7 Cu54F 1.238 0.677 ratio:0.900,dipole:-0.137,distance:0.107,ads_E:-3.084 0.009 -195.280 - ratio:1.130,dipole:4.250,distance:2.711,ads_E:-2.537 - - 55 1730.483 100 -0.000
8 Cu54Ar 3.861 -0.049 ratio:0.9,dipole:-0.757,distance:2.324,ads_E:0.500 0.009 -190.598 ratio:1.36,dipole:0.001,distance:8.429,ads_E:-0.005 ratio:1.04,dipole:-0.018,distance:4.088,ads_E:-0.017 ratio:1.5,dipole:0.000,distance:10.329,ads_E:-0.005 ratio:1.32,dipole:0.002,distance:7.887,ads_E:-0.005 55 1730.483 100 -0.000