ASE database

Displaying rows 1-8 out of 8
↓ ID ✕ Formula ✕ no_equ_26 ✕ no_equ_20 ✕ no_equ_21 ✕ no_equ_3 ✕ Magnetic moment ✕ str_E ✕ distance ✕ no_equ_17 ✕ no_equ_18 ✕ no_equ_11 ✕ no_equ_1 ✕
1 Cu54Li - - - ratio:0.96,dipole:-1.624,distance:1.400,ads_E:-1.949 0.000 -193.113 1.865 - - ratio:1.25,dipole:-2.667,distance:4.858,ads_E:-0.244 ratio:0.9,dipole:-0.645,distance:0.684,ads_E:-1.046
2 BeCu54 - - - ratio:0.96,dipole:0.234375,distance:0.531386,ads_E:-2.83237 -0.000 -193.566 1.012 ratio:1.55,dipole:-0.00631543,distance:7.10066,ads_E:-0.00261613 ratio:1.6,dipole:-0.00466727,distance:7.61014,ads_E:-0.0017761 ratio:1.25,dipole:-0.291055,distance:3.73895,ads_E:-0.152313 ratio:0.9,dipole:0.302883,distance:-0.132247,ads_E:-2.36046
3 Cu54B - - - ratio:0.960,dipole:0.398,distance:-0.066,ads_E:-5.490 0.000 -196.413 0.409 ratio:2.100,dipole:-0.833,distance:11.891,ads_E:-0.007 - ratio:1.250,dipole:-0.107,distance:2.976,ads_E:-0.989 ratio:0.900,dipole:-0.012,distance:-0.696,ads_E:-4.781
4 Cu54C - ratio:2.1,dipole:5.51535,distance:11.7191,ads_E:-0.0591715 ratio:2.2,dipole:7.59718,distance:12.7603,ads_E:-0.0579928 ratio:0.96,dipole:0.291413,distance:-0.150308,ads_E:-6.20762 -0.000 -198.094 0.260 ratio:1.55,dipole:3.07149,distance:5.99264,ads_E:-0.095025 ratio:1.6,dipole:3.20521,distance:6.61329,ads_E:-0.0862335 ratio:1.25,dipole:1.94527,distance:2.86911,ads_E:-0.945693 ratio:0.9,dipole:-0.0331232,distance:-0.775014,ads_E:-5.11493
5 Cu54N - - - ratio:0.96,dipole:0.160,distance:-0.035,ads_E:-4.570 -0.000 -198.315 0.399 ratio:1.5,dipole:0.030,distance:5.736,ads_E:-0.004 ratio:1.55,dipole:0.009,distance:6.168,ads_E:-0.002 ratio:1.25,dipole:0.908,distance:3.014,ads_E:-0.162 ratio:0.9,dipole:-0.149,distance:-0.666,ads_E:-3.448
6 Cu54O - - - ratio:0.960,dipole:0.131,distance:0.342,ads_E:-5.226 0.000 -197.510 0.772 - - ratio:1.250,dipole:3.446,distance:3.499,ads_E:-0.537 ratio:0.900,dipole:-0.175,distance:-0.311,ads_E:-4.372
7 Cu54F - - - ratio:0.960,dipole:0.260,distance:0.787,ads_E:-4.090 -0.000 -195.280 1.238 - - ratio:1.300,dipole:7.369,distance:4.635,ads_E:-1.125 ratio:0.900,dipole:-0.137,distance:0.107,ads_E:-3.084
8 Cu54Ar ratio:1.4,dipole:0.000,distance:8.972,ads_E:-0.005 ratio:1.28,dipole:0.001,distance:7.344,ads_E:-0.005 ratio:1.3,dipole:0.002,distance:7.615,ads_E:-0.005 ratio:0.94,dipole:-0.431,distance:2.731,ads_E:0.139 -0.000 -190.598 3.861 ratio:1.22,dipole:0.004,distance:6.530,ads_E:-0.006 ratio:1.24,dipole:0.002,distance:6.801,ads_E:-0.005 ratio:1.1,dipole:0.008,distance:4.902,ads_E:-0.012 ratio:0.9,dipole:-0.757,distance:2.324,ads_E:0.500