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 ✕ no_equ_29 ✕ Number of atoms ✕ no_equ_9 ✕ Age ✕ no_equ_16 ✕ ads_E ✕ no_equ_2 ✕ no_equ_5 ✕ no_equ_6 ✕ Maximum stress ✕ no_equ_12 ✕
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 - 55 ratio:1.15,dipole:-3.511,distance:3.666,ads_E:-0.744 13M ratio:1.9,dipole:-3.128,distance:12.609,ads_E:-0.058 -2.222 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 ratio:1.06,dipole:-3.520,distance:2.592,ads_E:-1.776 0.009 ratio:1.3,dipole:-2.555,distance:5.454,ads_E:-0.165
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 - 55 ratio:1.16,dipole:-0.39644,distance:2.7435,ads_E:-0.772653 13M ratio:1.5,dipole:-0.0113499,distance:6.50408,ads_E:-0.00416696 -2.934 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 ratio:1.06,dipole:-0.280091,distance:1.63744,ads_E:-2.62506 0.008 ratio:1.3,dipole:-0.18803,distance:4.29197,ads_E:-0.0630632
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 - 55 ratio:1.160,dipole:0.981,distance:2.032,ads_E:-3.278 13M ratio:2.000,dipole:-1.008,distance:10.843,ads_E:-0.007 -5.472 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 ratio:1.060,dipole:0.683,distance:0.983,ads_E:-5.361 0.008 ratio:1.350,dipole:-0.748,distance:4.025,ads_E:-0.303
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 - 55 ratio:1.16,dipole:1.37647,distance:1.93205,ads_E:-3.75037 13M ratio:1.51,dipole:2.9677,distance:5.57616,ads_E:-0.10513 -6.254 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 ratio:1.06,dipole:0.76872,distance:0.890869,ads_E:-6.06915 0.008 ratio:1.3,dipole:2.30687,distance:3.38969,ads_E:-0.486531
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 - 55 ratio:1.16,dipole:1.554,distance:2.068,ads_E:-1.933 13M ratio:1.45,dipole:0.007,distance:5.116,ads_E:-0.007 -4.599 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 ratio:1.06,dipole:0.760,distance:1.016,ads_E:-4.404 0.007 ratio:1.3,dipole:0.575,distance:3.539,ads_E:-0.068
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 - 55 ratio:1.160,dipole:2.453,distance:2.519,ads_E:-1.842 13M ratio:2.100,dipole:4.187,distance:12.753,ads_E:-0.168 -5.385 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 ratio:1.060,dipole:1.037,distance:1.431,ads_E:-4.883 0.009 ratio:1.310,dipole:3.768,distance:4.152,ads_E:-0.372
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 - 55 ratio:1.160,dipole:5.403,distance:3.050,ads_E:-2.006 13M - -4.264 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 ratio:1.060,dipole:1.787,distance:1.918,ads_E:-3.859 0.009 ratio:1.450,dipole:8.949,distance:6.333,ads_E:-0.889
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 ratio:1.46,dipole:0.000,distance:9.786,ads_E:-0.005 55 ratio:1.06,dipole:-0.003,distance:4.359,ads_E:-0.016 13M ratio:1.2,dipole:0.005,distance:6.259,ads_E:-0.006 0.020 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 ratio:1,dipole:-0.100,distance:3.545,ads_E:-0.007 0.009 ratio:1.12,dipole:0.009,distance:5.173,ads_E:-0.010