ASE database

Displaying rows 1-8 out of 8
↓ ID ✕ Formula ✕ no_equ_18 ✕ Mass ✕ no_equ_1 ✕ Charge ✕ no_equ_10 ✕ Username ✕ no_equ_14 ✕
1 Cu54Li - 3438.424 ratio:0.9,dipole:-0.645,distance:0.684,ads_E:-1.046 0.000 ratio:1.17,dipole:-3.222,distance:3.904,ads_E:-0.582 hecc ratio:1.5,dipole:-2.645,distance:7.839,ads_E:-0.084
2 BeCu54 ratio:1.6,dipole:-0.00466727,distance:7.61014,ads_E:-0.0017761 3440.496 ratio:0.9,dipole:0.302883,distance:-0.132247,ads_E:-2.36046 0.000 ratio:1.2,dipole:-0.359907,distance:3.18592,ads_E:-0.372501 hecc ratio:1.4,dipole:-0.047443,distance:5.39803,ads_E:-0.0134448
3 Cu54B - 3442.294 ratio:0.900,dipole:-0.012,distance:-0.696,ads_E:-4.781 0.000 ratio:1.200,dipole:0.935,distance:2.451,ads_E:-2.045 hecc ratio:1.500,dipole:-0.465,distance:5.598,ads_E:-0.193
4 Cu54C ratio:1.6,dipole:3.20521,distance:6.61329,ads_E:-0.0862335 3443.495 ratio:0.9,dipole:-0.0331232,distance:-0.775014,ads_E:-5.11493 0.000 ratio:1.2,dipole:1.54212,distance:2.34852,ads_E:-2.29339 hecc ratio:1.4,dipole:2.63066,distance:4.43087,ads_E:-0.175371
5 Cu54N ratio:1.55,dipole:0.009,distance:6.168,ads_E:-0.002 3445.491 ratio:0.9,dipole:-0.149,distance:-0.666,ads_E:-3.448 0.000 ratio:1.2,dipole:1.380,distance:2.488,ads_E:-0.433 hecc ratio:1.36,dipole:-0.067,distance:4.254,ads_E:-0.030
6 Cu54O - 3447.483 ratio:0.900,dipole:-0.175,distance:-0.311,ads_E:-4.372 0.000 ratio:1.200,dipole:3.021,distance:2.955,ads_E:-0.945 hecc ratio:1.550,dipole:3.996,distance:6.765,ads_E:-0.507
7 Cu54F - 3450.482 ratio:0.900,dipole:-0.137,distance:0.107,ads_E:-3.084 0.000 ratio:1.250,dipole:6.761,distance:4.069,ads_E:-1.287 hecc ratio:1.600,dipole:10.431,distance:8.031,ads_E:-0.769
8 Cu54Ar ratio:1.24,dipole:0.002,distance:6.801,ads_E:-0.005 3471.432 ratio:0.9,dipole:-0.757,distance:2.324,ads_E:0.500 0.000 ratio:1.08,dipole:0.005,distance:4.631,ads_E:-0.014 hecc ratio:1.16,dipole:0.006,distance:5.716,ads_E:-0.008