ASE database

Displaying rows 1-8 out of 8

↓ ID ✕	Formula ✕	Maximum force ✕	Maximum stress ✕	no_equ_31 ✕	no_equ_7 ✕	distance ✕	Number of atoms ✕	atom_E ✕	Volume ✕	no_equ_15 ✕
1	Cu₅₄Li	0.009	0.009	-	ratio:1.1,dipole:-4.039,distance:3.069,ads_E:-1.290	1.865	55	-0.299	1730.483	ratio:1.7,dipole:-2.867,distance:10.224,ads_E:-0.066
2	BeCu₅₄	0.010	0.008	-	ratio:1.1,dipole:-0.434967,distance:2.07986,ads_E:-1.97799	1.012	55	-0.039	1730.483	ratio:1.45,dipole:-0.0224294,distance:5.95106,ads_E:-0.00714774
3	Cu₅₄B	0.005	0.008	-	ratio:1.100,dipole:0.778,distance:1.402,ads_E:-4.794	0.409	55	-0.349	1730.483	ratio:1.900,dipole:-0.558,distance:9.794,ads_E:-0.180
4	Cu₅₄C	0.010	0.008	-	ratio:1.1,dipole:1.00519,distance:1.30734,ads_E:-5.4061	0.260	55	-1.248	1730.483	ratio:1.45,dipole:2.19263,distance:4.95146,ads_E:-0.182345
5	Cu₅₄N	0.005	0.007	-	ratio:1.1,dipole:1.088,distance:1.437,ads_E:-3.705	0.399	55	-3.124	1730.483	ratio:1.4,dipole:-0.095,distance:4.680,ads_E:-0.016
6	Cu₅₄O	0.008	0.009	-	ratio:1.100,dipole:1.502,distance:1.866,ads_E:-3.941	0.772	55	-1.533	1730.483	ratio:1.900,dipole:6.642,distance:10.576,ads_E:-0.174
7	Cu₅₄F	0.006	0.009	-	ratio:1.100,dipole:3.086,distance:2.371,ads_E:-3.138	1.238	55	-0.424	1730.483	ratio:1.900,dipole:13.468,distance:11.427,ads_E:-0.666
8	Cu₅₄Ar	0.007	0.009	ratio:1.5,dipole:0.000,distance:10.329,ads_E:-0.005	ratio:1.02,dipole:-0.049,distance:3.817,ads_E:-0.015	3.861	55	-0.025	1730.483	ratio:1.18,dipole:0.006,distance:5.987,ads_E:-0.007