ASE database

Displaying rows 1-8 out of 8
↓ ID ✕ Formula ✕ no_equ_2 ✕ no_equ_5 ✕ no_equ_23 ✕ plane_index ✕ no_equ_8 ✕ Charge ✕ no_equ_6 ✕ no_equ_4 ✕ no_equ_12 ✕ no_equ_29 ✕ PBC ✕ atom_E ✕ Age ✕
1 Cu54Li ratio:0.93,dipole:-1.125,distance:1.042,ads_E:-1.567 ratio:1.03,dipole:-2.924,distance:2.235,ads_E:-2.040 - 100 ratio:1.13,dipole:-3.714,distance:3.427,ads_E:-0.940 0.000 ratio:1.06,dipole:-3.520,distance:2.592,ads_E:-1.776 ratio:1,dipole:-2.353,distance:1.877,ads_E:-2.141 ratio:1.3,dipole:-2.555,distance:5.454,ads_E:-0.165 - TTT -0.299 13M
2 BeCu54 ratio:0.93,dipole:0.340153,distance:0.19957,ads_E:-2.58415 ratio:1.03,dipole:-0.173906,distance:1.30562,ads_E:-2.87935 - 100 ratio:1.13,dipole:-0.472991,distance:2.41168,ads_E:-1.3327 0.000 ratio:1.06,dipole:-0.280091,distance:1.63744,ads_E:-2.62506 ratio:1,dipole:0.00345513,distance:0.973808,ads_E:-2.95616 ratio:1.3,dipole:-0.18803,distance:4.29197,ads_E:-0.0630632 - TTT -0.039 13M
3 Cu54B ratio:0.930,dipole:0.209,distance:-0.381,ads_E:-5.180 ratio:1.030,dipole:0.635,distance:0.668,ads_E:-5.579 - 100 ratio:1.130,dipole:0.870,distance:1.717,ads_E:-4.122 0.000 ratio:1.060,dipole:0.683,distance:0.983,ads_E:-5.361 ratio:1.000,dipole:0.557,distance:0.353,ads_E:-5.662 ratio:1.350,dipole:-0.748,distance:4.025,ads_E:-0.303 - TTT -0.349 13M
4 Cu54C ratio:0.93,dipole:0.104359,distance:-0.462661,ads_E:-5.77067 ratio:1.03,dipole:0.653681,distance:0.578516,ads_E:-6.33223 - 100 ratio:1.13,dipole:1.19768,distance:1.61969,ads_E:-4.67472 0.000 ratio:1.06,dipole:0.76872,distance:0.890869,ads_E:-6.06915 ratio:1,dipole:0.52283,distance:0.266163,ads_E:-6.42427 ratio:1.3,dipole:2.30687,distance:3.38969,ads_E:-0.486531 - TTT -1.248 13M
5 Cu54N ratio:0.93,dipole:-0.001,distance:-0.350,ads_E:-4.156 ratio:1.03,dipole:0.566,distance:0.701,ads_E:-4.655 - 100 ratio:1.13,dipole:1.347,distance:1.752,ads_E:-2.917 0.000 ratio:1.06,dipole:0.760,distance:1.016,ads_E:-4.404 ratio:1,dipole:0.368,distance:0.386,ads_E:-4.725 ratio:1.3,dipole:0.575,distance:3.539,ads_E:-0.068 - TTT -3.124 13M
6 Cu54O ratio:0.930,dipole:-0.058,distance:0.015,ads_E:-4.909 ratio:1.030,dipole:0.754,distance:1.104,ads_E:-5.283 - 100 ratio:1.130,dipole:1.922,distance:2.193,ads_E:-2.973 0.000 ratio:1.060,dipole:1.037,distance:1.431,ads_E:-4.883 ratio:1.000,dipole:0.486,distance:0.778,ads_E:-5.406 ratio:1.310,dipole:3.768,distance:4.152,ads_E:-0.372 - TTT -1.533 13M
7 Cu54F ratio:0.930,dipole:0.015,distance:0.447,ads_E:-3.637 ratio:1.030,dipole:1.159,distance:1.579,ads_E:-4.212 - 100 ratio:1.130,dipole:4.250,distance:2.711,ads_E:-2.537 0.000 ratio:1.060,dipole:1.787,distance:1.918,ads_E:-3.859 ratio:1.000,dipole:0.693,distance:1.239,ads_E:-4.335 ratio:1.450,dipole:8.949,distance:6.333,ads_E:-0.889 - TTT -0.424 13M
8 Cu54Ar ratio:0.92,dipole:-0.596,distance:2.460,ads_E:0.278 ratio:0.98,dipole:-0.177,distance:3.274,ads_E:0.014 ratio:1.34,dipole:0.001,distance:8.158,ads_E:-0.005 100 ratio:1.04,dipole:-0.018,distance:4.088,ads_E:-0.017 0.000 ratio:1,dipole:-0.100,distance:3.545,ads_E:-0.007 ratio:0.96,dipole:-0.291,distance:3.002,ads_E:0.057 ratio:1.12,dipole:0.009,distance:5.173,ads_E:-0.010 ratio:1.46,dipole:0.000,distance:9.786,ads_E:-0.005 TTT -0.025 13M