ASE database

Displaying rows 1-25 out of 594

↓ ID ✕	Formula ✕	Magnetic moment ✕	no_equ_6 ✕	no_equ_4 ✕	slab_E ✕
1	Cu₅₄Li	0.000	ratio:1.06,dipole:-3.520,distance:2.592,ads_E:-1.776	ratio:1,dipole:-2.353,distance:1.877,ads_E:-2.141	-190.592
2	BeCu₅₄	-0.000	ratio:1.06,dipole:-0.280091,distance:1.63744,ads_E:-2.62506	ratio:1,dipole:0.00345513,distance:0.973808,ads_E:-2.95616	-190.592
3	Cu₅₄B	0.000	ratio:1.060,dipole:0.683,distance:0.983,ads_E:-5.361	ratio:1.000,dipole:0.557,distance:0.353,ads_E:-5.662	-190.592
4	Cu₅₄C	-0.000	ratio:1.06,dipole:0.76872,distance:0.890869,ads_E:-6.06915	ratio:1,dipole:0.52283,distance:0.266163,ads_E:-6.42427	-190.592
5	Cu₅₄N	-0.000	ratio:1.06,dipole:0.760,distance:1.016,ads_E:-4.404	ratio:1,dipole:0.368,distance:0.386,ads_E:-4.725	-190.592
6	Cu₅₄O	0.000	ratio:1.060,dipole:1.037,distance:1.431,ads_E:-4.883	ratio:1.000,dipole:0.486,distance:0.778,ads_E:-5.406	-190.592
7	Cu₅₄F	-0.000	ratio:1.060,dipole:1.787,distance:1.918,ads_E:-3.859	ratio:1.000,dipole:0.693,distance:1.239,ads_E:-4.335	-190.592
8	Cu₅₄Ar	-0.000	ratio:1,dipole:-0.100,distance:3.545,ads_E:-0.007	ratio:0.96,dipole:-0.291,distance:3.002,ads_E:0.057	-190.592

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