ASE database

Displaying rows 1-25 out of 594
↓ ID ✕ Formula ✕ PBC ✕ no_equ_13 ✕ no_equ_1 ✕ no_equ_23 ✕ no_equ_15 ✕ distance ✕
1 Cu54Li TTT ratio:1.35,dipole:-2.533,distance:6.051,ads_E:-0.126 ratio:0.9,dipole:-0.645,distance:0.684,ads_E:-1.046 - ratio:1.7,dipole:-2.867,distance:10.224,ads_E:-0.066 1.865
2 BeCu54 TTT ratio:1.35,dipole:-0.0991408,distance:4.845,ads_E:-0.0276465 ratio:0.9,dipole:0.302883,distance:-0.132247,ads_E:-2.36046 - ratio:1.45,dipole:-0.0224294,distance:5.95106,ads_E:-0.00714774 1.012
3 Cu54B TTT ratio:1.400,dipole:-0.694,distance:4.626,ads_E:-0.236 ratio:0.900,dipole:-0.012,distance:-0.696,ads_E:-4.781 - ratio:1.900,dipole:-0.558,distance:9.794,ads_E:-0.180 0.409
4 Cu54C TTT ratio:1.35,dipole:2.50975,distance:3.91028,ads_E:-0.271632 ratio:0.9,dipole:-0.0331232,distance:-0.775014,ads_E:-5.11493 - ratio:1.45,dipole:2.19263,distance:4.95146,ads_E:-0.182345 0.260
5 Cu54N TTT ratio:1.33,dipole:0.416,distance:3.855,ads_E:-0.042 ratio:0.9,dipole:-0.149,distance:-0.666,ads_E:-3.448 - ratio:1.4,dipole:-0.095,distance:4.680,ads_E:-0.016 0.399
6 Cu54O TTT ratio:1.350,dipole:3.982,distance:4.588,ads_E:-0.321 ratio:0.900,dipole:-0.175,distance:-0.311,ads_E:-4.372 - ratio:1.900,dipole:6.642,distance:10.576,ads_E:-0.174 0.772
7 Cu54F TTT ratio:1.550,dipole:9.933,distance:7.465,ads_E:-0.801 ratio:0.900,dipole:-0.137,distance:0.107,ads_E:-3.084 - ratio:1.900,dipole:13.468,distance:11.427,ads_E:-0.666 1.238
8 Cu54Ar TTT ratio:1.14,dipole:0.008,distance:5.445,ads_E:-0.009 ratio:0.9,dipole:-0.757,distance:2.324,ads_E:0.500 ratio:1.34,dipole:0.001,distance:8.158,ads_E:-0.005 ratio:1.18,dipole:0.006,distance:5.987,ads_E:-0.007 3.861