Nature Communications

Table 1 Summary of global vs. local symmetries and various inorganic layer distortion metrics in 2D chiral MHPs, and noncentrosymmetric achiral MHPs.

From: Structural descriptor for enhanced spin-splitting in 2D hybrid perovskites

2D HOIP	Global		Inorganic framework		Isolated inorganic layer		\({{{{{\boldsymbol{\Delta }}}}}}{{{{{\boldsymbol{d}}}}}}\) (10⁻⁵)	\({{{{{{\boldsymbol{\sigma }}}}}}}^{{{{{{\boldsymbol{2}}}}}}}\) (°²)	β, β′ (°)	∆β (°)	PBE band structure
[C₉DA]PbI₄	Cc	C_s	C2/c	C_2h	P2₁/c	C_2h	3.45	4.33	153, 154	1	–
[4AMP]PbI₄	Pc	C_s	Pbam	D_2h	Pbam	D_2h	45.7	9.46	154, 155	1	Ref. ³⁹
[S-MHA]₂PbI₄^a	P2₁2₁2₁	D₂	P2₁2₁2₁	D₂	P4/mbm	D_4h	10.5	10.78	153, 154	1	This work
[S-2-Me-BuA]₂PbBr₄^a	P2₁	C₂	P2₁/c	C_2h	P2₁/c	C_2h	0.19	7.78	152, 153	1	This work
[4-Cl-BzA]₂PbI₄	P2₁	C₂	P2₁/c	C_2h	P2₁/c	C_2h	10	6.48	154, 155	1	Ref. ³⁰
[4-Br-BzA]₂PbI₄	P2₁	C₂	P2₁/c	C_2h	P2₁/c	C_2h	8.64	8.39	153, 156	3	Ref. ³⁰
[4AMPY]PbI₄	Pn	C_s	Pmmn	D_2h	Pmmn	D_2h	4.90	0.69	149, 152	3	–
[R-4-Cl-MBA]₂PbI₄	P1	C₁	P-1	C_i	P-1	C_i	34.74	12.74	152, 155	3	This work
[S-4-NH₃-MBA]PbI₄^a	P2₁2₁2₁	D₂	P2₁2₁2₁	D₂	P2₁/c	C_2h	38	14.13	145, 148	3	This work
[3AMPY]PbI₄	Pn	C_s	Pna2₁	C_2v	P2₁/c	C_2h	5.45	7.75	163, 168	5	–
[S-MBA]₂PbI₄	P2₁2₁2₁	D₂	Pnma	D_2h	Pmc2₁	C_2v	56.44	20.11	151, 157	6	This work
[S-4-NO₂-MBA]₂PbBr₄⋅H₂O^a	P2₁	C₂	P2₁	C₂	P2₁	C₂	129.4	34.04	148, 160	12	This work
[NMA]₂PbBr₄	Cmc2₁	C_2v	Cmc2₁	C_2v	Pmc2₁	C_2v	15.43	13.57	142, 154	12	This work
[PMA]₂PbCl₄	Cmc2₁	C_2v	Cmc2₁	C_2v	Pmc2₁	C_2v	4.22	21.42	142, 154	12	This work
[4AMP]PbBr₄	Pca2₁	C_2v	Pca2₁	C_2v	Pca2₁	C_2v	105	40.83	146, 160	14	This work
[S-1-1-NEA]₂PbBr₄	P2₁	C₂	P2₁	C₂	P2₁	C₂	62	40.17	144, 158	14	This work
[R-4-Cl-MBA]₂PbBr₄^a	P2₁2₁2₁	D₂	P2₁2₁2₁	D₂	P2₁	C₂	135.3	49.65	142, 157	15	This work

MHPs are sorted based on \(\Delta \beta\) values along one of the in-plane directions (see Fig. 2f, g), which correlate strongly with the spin-splitting magnitude as shown in Fig. 5.
^aNew chiral MHPs reported in this study.

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