ASE database

Displaying rows 1-25 out of 31
Formula ✕ no_equ_7 ✕ Magnetic moment ✕ no_equ_30 ✕ no_equ_13 ✕ Maximum stress ✕ no_equ_10 ✕ no_equ_1 ✕ Mass ✕ str_E ✕ no_equ_8 ✕ ads_E ✕ no_equ_23 ✕ no_equ_9 ✕
Cu54Li ratio:1.1,dipole:-4.039,distance:3.069,ads_E:-1.290 0.000 - ratio:1.35,dipole:-2.533,distance:6.051,ads_E:-0.126 0.009 ratio:1.17,dipole:-3.222,distance:3.904,ads_E:-0.582 ratio:0.9,dipole:-0.645,distance:0.684,ads_E:-1.046 3438.424 -193.113 ratio:1.13,dipole:-3.714,distance:3.427,ads_E:-0.940 -2.222 - ratio:1.15,dipole:-3.511,distance:3.666,ads_E:-0.744
BeCu54 ratio:1.1,dipole:-0.434967,distance:2.07986,ads_E:-1.97799 -0.000 - ratio:1.35,dipole:-0.0991408,distance:4.845,ads_E:-0.0276465 0.008 ratio:1.2,dipole:-0.359907,distance:3.18592,ads_E:-0.372501 ratio:0.9,dipole:0.302883,distance:-0.132247,ads_E:-2.36046 3440.496 -193.566 ratio:1.13,dipole:-0.472991,distance:2.41168,ads_E:-1.3327 -2.934 - ratio:1.16,dipole:-0.39644,distance:2.7435,ads_E:-0.772653
Cu54B ratio:1.100,dipole:0.778,distance:1.402,ads_E:-4.794 0.000 - ratio:1.400,dipole:-0.694,distance:4.626,ads_E:-0.236 0.008 ratio:1.200,dipole:0.935,distance:2.451,ads_E:-2.045 ratio:0.900,dipole:-0.012,distance:-0.696,ads_E:-4.781 3442.294 -196.413 ratio:1.130,dipole:0.870,distance:1.717,ads_E:-4.122 -5.472 - ratio:1.160,dipole:0.981,distance:2.032,ads_E:-3.278
Cu54C ratio:1.1,dipole:1.00519,distance:1.30734,ads_E:-5.4061 -0.000 - ratio:1.35,dipole:2.50975,distance:3.91028,ads_E:-0.271632 0.008 ratio:1.2,dipole:1.54212,distance:2.34852,ads_E:-2.29339 ratio:0.9,dipole:-0.0331232,distance:-0.775014,ads_E:-5.11493 3443.495 -198.094 ratio:1.13,dipole:1.19768,distance:1.61969,ads_E:-4.67472 -6.254 - ratio:1.16,dipole:1.37647,distance:1.93205,ads_E:-3.75037
Cu54N ratio:1.1,dipole:1.088,distance:1.437,ads_E:-3.705 -0.000 - ratio:1.33,dipole:0.416,distance:3.855,ads_E:-0.042 0.007 ratio:1.2,dipole:1.380,distance:2.488,ads_E:-0.433 ratio:0.9,dipole:-0.149,distance:-0.666,ads_E:-3.448 3445.491 -198.315 ratio:1.13,dipole:1.347,distance:1.752,ads_E:-2.917 -4.599 - ratio:1.16,dipole:1.554,distance:2.068,ads_E:-1.933
Cu54O ratio:1.100,dipole:1.502,distance:1.866,ads_E:-3.941 0.000 - ratio:1.350,dipole:3.982,distance:4.588,ads_E:-0.321 0.009 ratio:1.200,dipole:3.021,distance:2.955,ads_E:-0.945 ratio:0.900,dipole:-0.175,distance:-0.311,ads_E:-4.372 3447.483 -197.510 ratio:1.130,dipole:1.922,distance:2.193,ads_E:-2.973 -5.385 - ratio:1.160,dipole:2.453,distance:2.519,ads_E:-1.842
Cu54F ratio:1.100,dipole:3.086,distance:2.371,ads_E:-3.138 -0.000 - ratio:1.550,dipole:9.933,distance:7.465,ads_E:-0.801 0.009 ratio:1.250,dipole:6.761,distance:4.069,ads_E:-1.287 ratio:0.900,dipole:-0.137,distance:0.107,ads_E:-3.084 3450.482 -195.280 ratio:1.130,dipole:4.250,distance:2.711,ads_E:-2.537 -4.264 - ratio:1.160,dipole:5.403,distance:3.050,ads_E:-2.006
Cu54Ar ratio:1.02,dipole:-0.049,distance:3.817,ads_E:-0.015 -0.000 ratio:1.48,dipole:0.000,distance:10.057,ads_E:-0.005 ratio:1.14,dipole:0.008,distance:5.445,ads_E:-0.009 0.009 ratio:1.08,dipole:0.005,distance:4.631,ads_E:-0.014 ratio:0.9,dipole:-0.757,distance:2.324,ads_E:0.500 3471.432 -190.598 ratio:1.04,dipole:-0.018,distance:4.088,ads_E:-0.017 0.020 ratio:1.34,dipole:0.001,distance:8.158,ads_E:-0.005 ratio:1.06,dipole:-0.003,distance:4.359,ads_E:-0.016