ASE database

Displaying rows 1-8 out of 8
↓ ID ✕ Formula ✕ no_equ_18 ✕ Magnetic moment ✕ no_equ_24 ✕ distance ✕ no_equ_27 ✕ no_equ_1 ✕ ads_E ✕ no_equ_28 ✕ no_equ_21 ✕ no_equ_8 ✕ no_equ_26 ✕ no_equ_9 ✕ no_equ_12 ✕ no_equ_25 ✕
1 Cu54Li - 0.000 - 1.865 - ratio:0.9,dipole:-0.645,distance:0.684,ads_E:-1.046 -2.222 - - ratio:1.13,dipole:-3.714,distance:3.427,ads_E:-0.940 - ratio:1.15,dipole:-3.511,distance:3.666,ads_E:-0.744 ratio:1.3,dipole:-2.555,distance:5.454,ads_E:-0.165 -
2 BeCu54 ratio:1.6,dipole:-0.00466727,distance:7.61014,ads_E:-0.0017761 -0.000 - 1.012 - ratio:0.9,dipole:0.302883,distance:-0.132247,ads_E:-2.36046 -2.934 - - ratio:1.13,dipole:-0.472991,distance:2.41168,ads_E:-1.3327 - ratio:1.16,dipole:-0.39644,distance:2.7435,ads_E:-0.772653 ratio:1.3,dipole:-0.18803,distance:4.29197,ads_E:-0.0630632 -
3 Cu54B - 0.000 - 0.409 - ratio:0.900,dipole:-0.012,distance:-0.696,ads_E:-4.781 -5.472 - - ratio:1.130,dipole:0.870,distance:1.717,ads_E:-4.122 - ratio:1.160,dipole:0.981,distance:2.032,ads_E:-3.278 ratio:1.350,dipole:-0.748,distance:4.025,ads_E:-0.303 -
4 Cu54C ratio:1.6,dipole:3.20521,distance:6.61329,ads_E:-0.0862335 -0.000 - 0.260 - ratio:0.9,dipole:-0.0331232,distance:-0.775014,ads_E:-5.11493 -6.254 - ratio:2.2,dipole:7.59718,distance:12.7603,ads_E:-0.0579928 ratio:1.13,dipole:1.19768,distance:1.61969,ads_E:-4.67472 - ratio:1.16,dipole:1.37647,distance:1.93205,ads_E:-3.75037 ratio:1.3,dipole:2.30687,distance:3.38969,ads_E:-0.486531 -
5 Cu54N ratio:1.55,dipole:0.009,distance:6.168,ads_E:-0.002 -0.000 - 0.399 - ratio:0.9,dipole:-0.149,distance:-0.666,ads_E:-3.448 -4.599 - - ratio:1.13,dipole:1.347,distance:1.752,ads_E:-2.917 - ratio:1.16,dipole:1.554,distance:2.068,ads_E:-1.933 ratio:1.3,dipole:0.575,distance:3.539,ads_E:-0.068 -
6 Cu54O - 0.000 - 0.772 - ratio:0.900,dipole:-0.175,distance:-0.311,ads_E:-4.372 -5.385 - - ratio:1.130,dipole:1.922,distance:2.193,ads_E:-2.973 - ratio:1.160,dipole:2.453,distance:2.519,ads_E:-1.842 ratio:1.310,dipole:3.768,distance:4.152,ads_E:-0.372 -
7 Cu54F - -0.000 - 1.238 - ratio:0.900,dipole:-0.137,distance:0.107,ads_E:-3.084 -4.264 - - ratio:1.130,dipole:4.250,distance:2.711,ads_E:-2.537 - ratio:1.160,dipole:5.403,distance:3.050,ads_E:-2.006 ratio:1.450,dipole:8.949,distance:6.333,ads_E:-0.889 -
8 Cu54Ar ratio:1.24,dipole:0.002,distance:6.801,ads_E:-0.005 -0.000 ratio:1.36,dipole:0.001,distance:8.429,ads_E:-0.005 3.861 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 0.020 ratio:1.44,dipole:0.000,distance:9.515,ads_E:-0.005 ratio:1.3,dipole:0.002,distance:7.615,ads_E:-0.005 ratio:1.04,dipole:-0.018,distance:4.088,ads_E:-0.017 ratio:1.4,dipole:0.000,distance:8.972,ads_E:-0.005 ratio:1.06,dipole:-0.003,distance:4.359,ads_E:-0.016 ratio:1.12,dipole:0.009,distance:5.173,ads_E:-0.010 ratio:1.38,dipole:0.000,distance:8.701,ads_E:-0.005