Table 1.

Chemical formula, structure prototype and relative stability, lattice parameters, band gaps, reported synthesis, and selected properties and applications of layered NM(D/P)Cs. Entries marked with an asterisk (*) refer to theoretical predictions from this work or from the given citation.

Formula	Structure and rel. stability	Lattice constants [Å]	Band gap [eV]	E exfl. [J m−2]	Synthesis	Properties and applications
PdS2	PdS2 3	a=5.460 b=5.416 c=7.531	0.78 (indirect)	0.31*	chemical vapor transport45	superconductivity at ca. 16 GPa45
	CdI2* (+44.4 kJ mol−1)	a=b=3.483* c=5.226*	metallic*)	0.32*	–	single‐material logic junctions46
PdSe2	PdS2 3	a=5.741 b=5.866 c=7.691	0.547 (indirect)	0.33*	self‐flux method48 chemical vapor deposition27	high mobility FETs49 polarization‐sensitive photodetectors26
	marcasite50 (+44.8 kJ mol−1)	a=4.873 b=6.013 c=3.930	metallic*		high pressure/high temperature, e.g. in diamond anvil cells	–
	pyrite50, 51 (+38.6 kJ mol−1)	a=b=c=6.100	metallic52			superconductivity at 23 GPa52
	verbeekite53 (+1.4 kJ mol−1)	a=10.928 b=4.154 c=6.710 β=125°	0.85* (direct)*			–
	CdI2* (+31.7 kJ mol−1)	a=b=3.734* c=4.889*	metallic*	0.40*	–	single‐material logic junctions46
PdTe2	CdI2 54	a=b=4.037 c=5.126	metallic8	0.85*	molecular beam epitaxy55, 56	Dirac type‐II fermions and superconductivity18, 19, 21, 56
	pyrite* (+13.6 kJ mol−1)	a=b=c=6.561	metallic*		–	–
PtS2	CdI2 4, 8	a=b=3.543 c=5.039	0.78 (indirect)	0.20*	vapor assisted conversion57	high‐gain phototransistors58 chemical sensors57
PtSe2	CdI2 4	a=b=3.728 c=5.081	metallic	0.51*	epitaxial growth17 thermally assisted conversion24	chemical sensors22, 24 piezoresistive sensors23
	MoS2 (+162 kJ mol−1)	a=b=3.507* c=11.334*	metallic*	1.35*	chemical vapor deposition30	–
PtTe2	CdI2 4	a=b=4.026 c=5.221	metallic8	0.28*	self‐flux method59	Dirac type‐II fermions19, 59
	MoS2 (+100 kJ mol−1)	a=b=3.879 c=11.957	metallic*	0.76*	–	–
PdPS	PdPS13	a=13.304 b=5.678 c=5.693	0.6510, 14 (indirect*)	0.31*	elementary reaction14	photocatalysis60
PdPSe	PdPS10, 14	a=13.569 b=5.824 c=5.856	0.1510, 14 (direct*)	0.33*	elementary reaction14	photocatalysis60
PtTe	PtTe	a=6.860 b=3.960 c=7.044 β=109°	metallic*61	0.95*61	elementary reaction62	electrocatalysis61