ASE database

Displaying rows 1-8 out of 8
↓ ID ✕ Formula ✕ no_equ_5 ✕ no_equ_7 ✕ no_equ_19 ✕ no_equ_10 ✕ no_equ_11 ✕ Mass ✕ no_equ_1 ✕ no_equ_22 ✕ Maximum force ✕ no_equ_15 ✕ Charge ✕ no_equ_8 ✕ no_equ_18 ✕ Volume ✕ Energy ✕ no_equ_4 ✕
1 Cu54Li ratio:1.03,dipole:-2.924,distance:2.235,ads_E:-2.040 ratio:1.1,dipole:-4.039,distance:3.069,ads_E:-1.290 - ratio:1.17,dipole:-3.222,distance:3.904,ads_E:-0.582 ratio:1.25,dipole:-2.667,distance:4.858,ads_E:-0.244 3438.424 ratio:0.9,dipole:-0.645,distance:0.684,ads_E:-1.046 - 0.009 ratio:1.7,dipole:-2.867,distance:10.224,ads_E:-0.066 0.000 ratio:1.13,dipole:-3.714,distance:3.427,ads_E:-0.940 - 1730.483 -193.113 ratio:1,dipole:-2.353,distance:1.877,ads_E:-2.141
2 BeCu54 ratio:1.03,dipole:-0.173906,distance:1.30562,ads_E:-2.87935 ratio:1.1,dipole:-0.434967,distance:2.07986,ads_E:-1.97799 - ratio:1.2,dipole:-0.359907,distance:3.18592,ads_E:-0.372501 ratio:1.25,dipole:-0.291055,distance:3.73895,ads_E:-0.152313 3440.496 ratio:0.9,dipole:0.302883,distance:-0.132247,ads_E:-2.36046 - 0.010 ratio:1.45,dipole:-0.0224294,distance:5.95106,ads_E:-0.00714774 0.000 ratio:1.13,dipole:-0.472991,distance:2.41168,ads_E:-1.3327 ratio:1.6,dipole:-0.00466727,distance:7.61014,ads_E:-0.0017761 1730.483 -193.566 ratio:1,dipole:0.00345513,distance:0.973808,ads_E:-2.95616
3 Cu54B ratio:1.030,dipole:0.635,distance:0.668,ads_E:-5.579 ratio:1.100,dipole:0.778,distance:1.402,ads_E:-4.794 - ratio:1.200,dipole:0.935,distance:2.451,ads_E:-2.045 ratio:1.250,dipole:-0.107,distance:2.976,ads_E:-0.989 3442.294 ratio:0.900,dipole:-0.012,distance:-0.696,ads_E:-4.781 - 0.005 ratio:1.900,dipole:-0.558,distance:9.794,ads_E:-0.180 0.000 ratio:1.130,dipole:0.870,distance:1.717,ads_E:-4.122 - 1730.483 -196.413 ratio:1.000,dipole:0.557,distance:0.353,ads_E:-5.662
4 Cu54C ratio:1.03,dipole:0.653681,distance:0.578516,ads_E:-6.33223 ratio:1.1,dipole:1.00519,distance:1.30734,ads_E:-5.4061 ratio:1.8,dipole:3.74248,distance:8.59558,ads_E:-0.0684837 ratio:1.2,dipole:1.54212,distance:2.34852,ads_E:-2.29339 ratio:1.25,dipole:1.94527,distance:2.86911,ads_E:-0.945693 3443.495 ratio:0.9,dipole:-0.0331232,distance:-0.775014,ads_E:-5.11493 - 0.010 ratio:1.45,dipole:2.19263,distance:4.95146,ads_E:-0.182345 0.000 ratio:1.13,dipole:1.19768,distance:1.61969,ads_E:-4.67472 ratio:1.6,dipole:3.20521,distance:6.61329,ads_E:-0.0862335 1730.483 -198.094 ratio:1,dipole:0.52283,distance:0.266163,ads_E:-6.42427
5 Cu54N ratio:1.03,dipole:0.566,distance:0.701,ads_E:-4.655 ratio:1.1,dipole:1.088,distance:1.437,ads_E:-3.705 ratio:1.6,dipole:0.009,distance:6.693,ads_E:-0.002 ratio:1.2,dipole:1.380,distance:2.488,ads_E:-0.433 ratio:1.25,dipole:0.908,distance:3.014,ads_E:-0.162 3445.491 ratio:0.9,dipole:-0.149,distance:-0.666,ads_E:-3.448 - 0.005 ratio:1.4,dipole:-0.095,distance:4.680,ads_E:-0.016 0.000 ratio:1.13,dipole:1.347,distance:1.752,ads_E:-2.917 ratio:1.55,dipole:0.009,distance:6.168,ads_E:-0.002 1730.483 -198.315 ratio:1,dipole:0.368,distance:0.386,ads_E:-4.725
6 Cu54O ratio:1.030,dipole:0.754,distance:1.104,ads_E:-5.283 ratio:1.100,dipole:1.502,distance:1.866,ads_E:-3.941 - ratio:1.200,dipole:3.021,distance:2.955,ads_E:-0.945 ratio:1.250,dipole:3.446,distance:3.499,ads_E:-0.537 3447.483 ratio:0.900,dipole:-0.175,distance:-0.311,ads_E:-4.372 - 0.008 ratio:1.900,dipole:6.642,distance:10.576,ads_E:-0.174 0.000 ratio:1.130,dipole:1.922,distance:2.193,ads_E:-2.973 - 1730.483 -197.510 ratio:1.000,dipole:0.486,distance:0.778,ads_E:-5.406
7 Cu54F ratio:1.030,dipole:1.159,distance:1.579,ads_E:-4.212 ratio:1.100,dipole:3.086,distance:2.371,ads_E:-3.138 - ratio:1.250,dipole:6.761,distance:4.069,ads_E:-1.287 ratio:1.300,dipole:7.369,distance:4.635,ads_E:-1.125 3450.482 ratio:0.900,dipole:-0.137,distance:0.107,ads_E:-3.084 - 0.006 ratio:1.900,dipole:13.468,distance:11.427,ads_E:-0.666 0.000 ratio:1.130,dipole:4.250,distance:2.711,ads_E:-2.537 - 1730.483 -195.280 ratio:1.000,dipole:0.693,distance:1.239,ads_E:-4.335
8 Cu54Ar ratio:0.98,dipole:-0.177,distance:3.274,ads_E:0.014 ratio:1.02,dipole:-0.049,distance:3.817,ads_E:-0.015 ratio:1.26,dipole:0.002,distance:7.073,ads_E:-0.005 ratio:1.08,dipole:0.005,distance:4.631,ads_E:-0.014 ratio:1.1,dipole:0.008,distance:4.902,ads_E:-0.012 3471.432 ratio:0.9,dipole:-0.757,distance:2.324,ads_E:0.500 ratio:1.32,dipole:0.002,distance:7.887,ads_E:-0.005 0.007 ratio:1.18,dipole:0.006,distance:5.987,ads_E:-0.007 0.000 ratio:1.04,dipole:-0.018,distance:4.088,ads_E:-0.017 ratio:1.24,dipole:0.002,distance:6.801,ads_E:-0.005 1730.483 -190.598 ratio:0.96,dipole:-0.291,distance:3.002,ads_E:0.057