Organometal Halide Perovskites

Found 240 rows out of 240, showing rows 1-25

Unique ID	Formula	Energy [eV]	Unit cell volume [Å³]	Direct GLLB-SC+SOC bandgap [eV]	Indirect GLLB-SC+SOC bandgap [eV]
1	ClCsPbBr₂	-17.150	195.672	1.709	1.709
2	CsPbBr₃	-16.628	204.670	1.639	1.639
3	BrCsPbCl₂	-17.674	187.234	1.797	1.797
4	CsPbCl₃	-18.203	178.666	2.265	2.265
5	BrCsPbI₂	-15.462	233.516	1.466	1.466
6	ClCsPbI₂	-15.960	223.088	1.306	1.306
7	CsPbI₃	-14.883	247.093	1.624	1.624
8	CsIPbBr₂	-16.076	220.865	2.077	1.909
9	BrClCsIPb	-16.601	211.991	1.978	1.887
10	CsIPbCl₂	-17.135	203.831	2.207	2.103
11	ClCsSnBr₂	-17.209	183.083	0.552	0.552
12	CsSnBr₃	-16.692	191.422	0.515	0.515
13	BrCsSnCl₂	-17.726	175.034	0.590	0.590
14	CsSnCl₃	-18.254	167.078	0.969	0.969
15	BrCsSnI₂	-15.525	217.562	0.359	0.359
16	ClCsSnI₂	-16.027	208.548	0.366	0.366
17	CsSnI₃	-14.961	231.314	0.230	0.230
18	CsISnBr₂	-16.096	204.695	0.441	0.441
19	BrClCsISn	-16.636	198.400	0.824	0.709
20	CsISnCl₂	-17.154	191.004	1.168	1.021
21	CClNPbBr₂H₆	-54.881	202.563	2.177	2.177
22	CNPbBr₃H₆	-54.369	210.899	1.964	1.964
23	BrCNPbCl₂H₆	-55.401	194.211	2.294	2.294
24	CNPbCl₃H₆	-55.917	185.121	2.712	2.712
25	BrCNPbI₂H₆	-53.200	238.556	1.462	1.462