ASE database

Displaying rows 1-25 out of 414

↓ ID ✕	Formula ✕	Volume ✕	no_equ_1 ✕	slab_E ✕	no_equ_31 ✕	str_E ✕	no_equ_29 ✕	no_equ_18 ✕
1	Cu₅₄Li	1730.483	ratio:0.9,dipole:-0.645,distance:0.684,ads_E:-1.046	-190.592	-	-193.113	-	-
2	BeCu₅₄	1730.483	ratio:0.9,dipole:0.302883,distance:-0.132247,ads_E:-2.36046	-190.592	-	-193.566	-	ratio:1.6,dipole:-0.00466727,distance:7.61014,ads_E:-0.0017761
3	Cu₅₄B	1730.483	ratio:0.900,dipole:-0.012,distance:-0.696,ads_E:-4.781	-190.592	-	-196.413	-	-
4	Cu₅₄C	1730.483	ratio:0.9,dipole:-0.0331232,distance:-0.775014,ads_E:-5.11493	-190.592	-	-198.094	-	ratio:1.6,dipole:3.20521,distance:6.61329,ads_E:-0.0862335
5	Cu₅₄N	1730.483	ratio:0.9,dipole:-0.149,distance:-0.666,ads_E:-3.448	-190.592	-	-198.315	-	ratio:1.55,dipole:0.009,distance:6.168,ads_E:-0.002
6	Cu₅₄O	1730.483	ratio:0.900,dipole:-0.175,distance:-0.311,ads_E:-4.372	-190.592	-	-197.510	-	-
7	Cu₅₄F	1730.483	ratio:0.900,dipole:-0.137,distance:0.107,ads_E:-3.084	-190.592	-	-195.280	-	-
8	Cu₅₄Ar	1730.483	ratio:0.9,dipole:-0.757,distance:2.324,ads_E:0.500	-190.592	ratio:1.5,dipole:0.000,distance:10.329,ads_E:-0.005	-190.598	ratio:1.46,dipole:0.000,distance:9.786,ads_E:-0.005	ratio:1.24,dipole:0.002,distance:6.801,ads_E:-0.005

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