ASE database

Displaying rows 1-8 out of 8
↓ ID ✕ Formula ✕ no_equ_1 ✕ no_equ_14 ✕ no_equ_18 ✕ no_equ_27 ✕ Maximum force ✕ no_equ_6 ✕
1 Cu54Li ratio:0.9,dipole:-0.645,distance:0.684,ads_E:-1.046 ratio:1.5,dipole:-2.645,distance:7.839,ads_E:-0.084 - - 0.009 ratio:1.06,dipole:-3.520,distance:2.592,ads_E:-1.776
2 BeCu54 ratio:0.9,dipole:0.302883,distance:-0.132247,ads_E:-2.36046 ratio:1.4,dipole:-0.047443,distance:5.39803,ads_E:-0.0134448 ratio:1.6,dipole:-0.00466727,distance:7.61014,ads_E:-0.0017761 - 0.010 ratio:1.06,dipole:-0.280091,distance:1.63744,ads_E:-2.62506
3 Cu54B ratio:0.900,dipole:-0.012,distance:-0.696,ads_E:-4.781 ratio:1.500,dipole:-0.465,distance:5.598,ads_E:-0.193 - - 0.005 ratio:1.060,dipole:0.683,distance:0.983,ads_E:-5.361
4 Cu54C ratio:0.9,dipole:-0.0331232,distance:-0.775014,ads_E:-5.11493 ratio:1.4,dipole:2.63066,distance:4.43087,ads_E:-0.175371 ratio:1.6,dipole:3.20521,distance:6.61329,ads_E:-0.0862335 - 0.010 ratio:1.06,dipole:0.76872,distance:0.890869,ads_E:-6.06915
5 Cu54N ratio:0.9,dipole:-0.149,distance:-0.666,ads_E:-3.448 ratio:1.36,dipole:-0.067,distance:4.254,ads_E:-0.030 ratio:1.55,dipole:0.009,distance:6.168,ads_E:-0.002 - 0.005 ratio:1.06,dipole:0.760,distance:1.016,ads_E:-4.404
6 Cu54O ratio:0.900,dipole:-0.175,distance:-0.311,ads_E:-4.372 ratio:1.550,dipole:3.996,distance:6.765,ads_E:-0.507 - - 0.008 ratio:1.060,dipole:1.037,distance:1.431,ads_E:-4.883
7 Cu54F ratio:0.900,dipole:-0.137,distance:0.107,ads_E:-3.084 ratio:1.600,dipole:10.431,distance:8.031,ads_E:-0.769 - - 0.006 ratio:1.060,dipole:1.787,distance:1.918,ads_E:-3.859
8 Cu54Ar ratio:0.9,dipole:-0.757,distance:2.324,ads_E:0.500 ratio:1.16,dipole:0.006,distance:5.716,ads_E:-0.008 ratio:1.24,dipole:0.002,distance:6.801,ads_E:-0.005 ratio:1.42,dipole:0.000,distance:9.243,ads_E:-0.005 0.007 ratio:1,dipole:-0.100,distance:3.545,ads_E:-0.007