ASE database

Displaying rows 1-25 out of 2180
↓ ID ✕ Formula ✕ no_equ_14 ✕ no_equ_8 ✕ no_equ_6 ✕ PBC ✕ atom_E ✕ no_equ_5 ✕ Magnetic moment ✕ no_equ_19 ✕
1 Cu54Li ratio:1.5,dipole:-2.645,distance:7.839,ads_E:-0.084 ratio:1.13,dipole:-3.714,distance:3.427,ads_E:-0.940 ratio:1.06,dipole:-3.520,distance:2.592,ads_E:-1.776 TTT -0.299 ratio:1.03,dipole:-2.924,distance:2.235,ads_E:-2.040 0.000 -
2 BeCu54 ratio:1.4,dipole:-0.047443,distance:5.39803,ads_E:-0.0134448 ratio:1.13,dipole:-0.472991,distance:2.41168,ads_E:-1.3327 ratio:1.06,dipole:-0.280091,distance:1.63744,ads_E:-2.62506 TTT -0.039 ratio:1.03,dipole:-0.173906,distance:1.30562,ads_E:-2.87935 -0.000 -
3 Cu54B ratio:1.500,dipole:-0.465,distance:5.598,ads_E:-0.193 ratio:1.130,dipole:0.870,distance:1.717,ads_E:-4.122 ratio:1.060,dipole:0.683,distance:0.983,ads_E:-5.361 TTT -0.349 ratio:1.030,dipole:0.635,distance:0.668,ads_E:-5.579 0.000 -
4 Cu54C ratio:1.4,dipole:2.63066,distance:4.43087,ads_E:-0.175371 ratio:1.13,dipole:1.19768,distance:1.61969,ads_E:-4.67472 ratio:1.06,dipole:0.76872,distance:0.890869,ads_E:-6.06915 TTT -1.248 ratio:1.03,dipole:0.653681,distance:0.578516,ads_E:-6.33223 -0.000 ratio:1.8,dipole:3.74248,distance:8.59558,ads_E:-0.0684837
5 Cu54N ratio:1.36,dipole:-0.067,distance:4.254,ads_E:-0.030 ratio:1.13,dipole:1.347,distance:1.752,ads_E:-2.917 ratio:1.06,dipole:0.760,distance:1.016,ads_E:-4.404 TTT -3.124 ratio:1.03,dipole:0.566,distance:0.701,ads_E:-4.655 -0.000 ratio:1.6,dipole:0.009,distance:6.693,ads_E:-0.002
6 Cu54O ratio:1.550,dipole:3.996,distance:6.765,ads_E:-0.507 ratio:1.130,dipole:1.922,distance:2.193,ads_E:-2.973 ratio:1.060,dipole:1.037,distance:1.431,ads_E:-4.883 TTT -1.533 ratio:1.030,dipole:0.754,distance:1.104,ads_E:-5.283 0.000 -
7 Cu54F ratio:1.600,dipole:10.431,distance:8.031,ads_E:-0.769 ratio:1.130,dipole:4.250,distance:2.711,ads_E:-2.537 ratio:1.060,dipole:1.787,distance:1.918,ads_E:-3.859 TTT -0.424 ratio:1.030,dipole:1.159,distance:1.579,ads_E:-4.212 -0.000 -
8 Cu54Ar ratio:1.16,dipole:0.006,distance:5.716,ads_E:-0.008 ratio:1.04,dipole:-0.018,distance:4.088,ads_E:-0.017 ratio:1,dipole:-0.100,distance:3.545,ads_E:-0.007 TTT -0.025 ratio:0.98,dipole:-0.177,distance:3.274,ads_E:0.014 -0.000 ratio:1.26,dipole:0.002,distance:7.073,ads_E:-0.005