ASE database

Displaying rows 1-25 out of 594

↓ ID ✕	Formula ✕	distance ✕	Dipole_val ✕	no_equ_1 ✕	Maximum stress ✕	Energy ✕
1	Cu₅₄Li	1.865	-2.989	ratio:0.9,dipole:-0.645,distance:0.684,ads_E:-1.046	0.009	-193.113
2	BeCu₅₄	1.012	-0.069	ratio:0.9,dipole:0.302883,distance:-0.132247,ads_E:-2.36046	0.008	-193.566
3	Cu₅₄B	0.409	0.558	ratio:0.900,dipole:-0.012,distance:-0.696,ads_E:-4.781	0.008	-196.413
4	Cu₅₄C	0.260	0.431	ratio:0.9,dipole:-0.0331232,distance:-0.775014,ads_E:-5.11493	0.008	-198.094
5	Cu₅₄N	0.399	0.356	ratio:0.9,dipole:-0.149,distance:-0.666,ads_E:-3.448	0.007	-198.315
6	Cu₅₄O	0.772	0.473	ratio:0.900,dipole:-0.175,distance:-0.311,ads_E:-4.372	0.009	-197.510
7	Cu₅₄F	1.238	0.677	ratio:0.900,dipole:-0.137,distance:0.107,ads_E:-3.084	0.009	-195.280
8	Cu₅₄Ar	3.861	-0.049	ratio:0.9,dipole:-0.757,distance:2.324,ads_E:0.500	0.009	-190.598

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