ASE database

Displaying rows 1-8 out of 8
↓ ID ✕ Formula ✕ no_equ_19 ✕ no_equ_27 ✕ no_equ_17 ✕ str_E ✕ Magnetic moment ✕ no_equ_4 ✕ no_equ_11 ✕ no_equ_29 ✕ no_equ_14 ✕ Username ✕
1 Cu54Li - - - -193.113 0.000 ratio:1,dipole:-2.353,distance:1.877,ads_E:-2.141 ratio:1.25,dipole:-2.667,distance:4.858,ads_E:-0.244 - ratio:1.5,dipole:-2.645,distance:7.839,ads_E:-0.084 hecc
2 BeCu54 - - ratio:1.55,dipole:-0.00631543,distance:7.10066,ads_E:-0.00261613 -193.566 -0.000 ratio:1,dipole:0.00345513,distance:0.973808,ads_E:-2.95616 ratio:1.25,dipole:-0.291055,distance:3.73895,ads_E:-0.152313 - ratio:1.4,dipole:-0.047443,distance:5.39803,ads_E:-0.0134448 hecc
3 Cu54B - - ratio:2.100,dipole:-0.833,distance:11.891,ads_E:-0.007 -196.413 0.000 ratio:1.000,dipole:0.557,distance:0.353,ads_E:-5.662 ratio:1.250,dipole:-0.107,distance:2.976,ads_E:-0.989 - ratio:1.500,dipole:-0.465,distance:5.598,ads_E:-0.193 hecc
4 Cu54C ratio:1.8,dipole:3.74248,distance:8.59558,ads_E:-0.0684837 - ratio:1.55,dipole:3.07149,distance:5.99264,ads_E:-0.095025 -198.094 -0.000 ratio:1,dipole:0.52283,distance:0.266163,ads_E:-6.42427 ratio:1.25,dipole:1.94527,distance:2.86911,ads_E:-0.945693 - ratio:1.4,dipole:2.63066,distance:4.43087,ads_E:-0.175371 hecc
5 Cu54N ratio:1.6,dipole:0.009,distance:6.693,ads_E:-0.002 - ratio:1.5,dipole:0.030,distance:5.736,ads_E:-0.004 -198.315 -0.000 ratio:1,dipole:0.368,distance:0.386,ads_E:-4.725 ratio:1.25,dipole:0.908,distance:3.014,ads_E:-0.162 - ratio:1.36,dipole:-0.067,distance:4.254,ads_E:-0.030 hecc
6 Cu54O - - - -197.510 0.000 ratio:1.000,dipole:0.486,distance:0.778,ads_E:-5.406 ratio:1.250,dipole:3.446,distance:3.499,ads_E:-0.537 - ratio:1.550,dipole:3.996,distance:6.765,ads_E:-0.507 hecc
7 Cu54F - - - -195.280 -0.000 ratio:1.000,dipole:0.693,distance:1.239,ads_E:-4.335 ratio:1.300,dipole:7.369,distance:4.635,ads_E:-1.125 - ratio:1.600,dipole:10.431,distance:8.031,ads_E:-0.769 hecc
8 Cu54Ar ratio:1.26,dipole:0.002,distance:7.073,ads_E:-0.005 ratio:1.42,dipole:0.000,distance:9.243,ads_E:-0.005 ratio:1.22,dipole:0.004,distance:6.530,ads_E:-0.006 -190.598 -0.000 ratio:0.96,dipole:-0.291,distance:3.002,ads_E:0.057 ratio:1.1,dipole:0.008,distance:4.902,ads_E:-0.012 ratio:1.46,dipole:0.000,distance:9.786,ads_E:-0.005 ratio:1.16,dipole:0.006,distance:5.716,ads_E:-0.008 hecc