ASE database

Displaying rows 1-8 out of 8
↓ ID ✕ Formula ✕ no_equ_30 ✕ no_equ_7 ✕ Energy ✕ no_equ_8 ✕ no_equ_22 ✕ no_equ_1 ✕ no_equ_16 ✕ Dipole_val ✕ Mass ✕
1 Cu54Li - ratio:1.1,dipole:-4.039,distance:3.069,ads_E:-1.290 -193.113 ratio:1.13,dipole:-3.714,distance:3.427,ads_E:-0.940 - ratio:0.9,dipole:-0.645,distance:0.684,ads_E:-1.046 ratio:1.9,dipole:-3.128,distance:12.609,ads_E:-0.058 -2.989 3438.424
2 BeCu54 - ratio:1.1,dipole:-0.434967,distance:2.07986,ads_E:-1.97799 -193.566 ratio:1.13,dipole:-0.472991,distance:2.41168,ads_E:-1.3327 - ratio:0.9,dipole:0.302883,distance:-0.132247,ads_E:-2.36046 ratio:1.5,dipole:-0.0113499,distance:6.50408,ads_E:-0.00416696 -0.069 3440.496
3 Cu54B - ratio:1.100,dipole:0.778,distance:1.402,ads_E:-4.794 -196.413 ratio:1.130,dipole:0.870,distance:1.717,ads_E:-4.122 - ratio:0.900,dipole:-0.012,distance:-0.696,ads_E:-4.781 ratio:2.000,dipole:-1.008,distance:10.843,ads_E:-0.007 0.558 3442.294
4 Cu54C - ratio:1.1,dipole:1.00519,distance:1.30734,ads_E:-5.4061 -198.094 ratio:1.13,dipole:1.19768,distance:1.61969,ads_E:-4.67472 - ratio:0.9,dipole:-0.0331232,distance:-0.775014,ads_E:-5.11493 ratio:1.51,dipole:2.9677,distance:5.57616,ads_E:-0.10513 0.431 3443.495
5 Cu54N - ratio:1.1,dipole:1.088,distance:1.437,ads_E:-3.705 -198.315 ratio:1.13,dipole:1.347,distance:1.752,ads_E:-2.917 - ratio:0.9,dipole:-0.149,distance:-0.666,ads_E:-3.448 ratio:1.45,dipole:0.007,distance:5.116,ads_E:-0.007 0.356 3445.491
6 Cu54O - ratio:1.100,dipole:1.502,distance:1.866,ads_E:-3.941 -197.510 ratio:1.130,dipole:1.922,distance:2.193,ads_E:-2.973 - ratio:0.900,dipole:-0.175,distance:-0.311,ads_E:-4.372 ratio:2.100,dipole:4.187,distance:12.753,ads_E:-0.168 0.473 3447.483
7 Cu54F - ratio:1.100,dipole:3.086,distance:2.371,ads_E:-3.138 -195.280 ratio:1.130,dipole:4.250,distance:2.711,ads_E:-2.537 - ratio:0.900,dipole:-0.137,distance:0.107,ads_E:-3.084 - 0.677 3450.482
8 Cu54Ar ratio:1.48,dipole:0.000,distance:10.057,ads_E:-0.005 ratio:1.02,dipole:-0.049,distance:3.817,ads_E:-0.015 -190.598 ratio:1.04,dipole:-0.018,distance:4.088,ads_E:-0.017 ratio:1.32,dipole:0.002,distance:7.887,ads_E:-0.005 ratio:0.9,dipole:-0.757,distance:2.324,ads_E:0.500 ratio:1.2,dipole:0.005,distance:6.259,ads_E:-0.006 -0.049 3471.432