ASE database

Displaying rows 1-25 out of 414

↓ ID ✕	Formula ✕	Volume ✕	no_equ_1 ✕	slab_E ✕	no_equ_31 ✕
1	Cu₅₄Li	1730.483	ratio:0.9,dipole:-0.645,distance:0.684,ads_E:-1.046	-190.592	-
2	BeCu₅₄	1730.483	ratio:0.9,dipole:0.302883,distance:-0.132247,ads_E:-2.36046	-190.592	-
3	Cu₅₄B	1730.483	ratio:0.900,dipole:-0.012,distance:-0.696,ads_E:-4.781	-190.592	-
4	Cu₅₄C	1730.483	ratio:0.9,dipole:-0.0331232,distance:-0.775014,ads_E:-5.11493	-190.592	-
5	Cu₅₄N	1730.483	ratio:0.9,dipole:-0.149,distance:-0.666,ads_E:-3.448	-190.592	-
6	Cu₅₄O	1730.483	ratio:0.900,dipole:-0.175,distance:-0.311,ads_E:-4.372	-190.592	-
7	Cu₅₄F	1730.483	ratio:0.900,dipole:-0.137,distance:0.107,ads_E:-3.084	-190.592	-
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

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