Table 1 Brillouin zone sampling

Compound	{k_c}	{q_c}	Carrier type	{k_f} = {q_f}
h-Sb	24²	12²	electron	480²
			hole	1560²
SiH	24²	12²	electron	240²
			hole	840²
Tl₂O	24²	12²	electron	600²
			hole	360²
Bi₂TeSe₂	18²	9²	electron	1260²
			hole	450²
GeSe	24 × 20	12 × 10	electron	600 × 500
			hole	600 × 500
SnTe	20²	10²	electron	500²
			hole	700²
ZrSe₂	24²	12²	electron	480²
			hole	720²
HfSe₂	24²	12²	electron	360²
			hole	720²
TiNCl	24 × 20	12 × 10	electron	360 × 300
			hole	480 × 400
TiNBr	24 × 20	12 × 10	electron	480 × 400
			hole	480 × 400
WS₂	24²	12²	electron	720²
			hole	1320²
WTe₂	24²	12²	electron	600²
			hole	720²
MoS₂	24²	12²	electron	720²
			hole	480²
h-Bi	12²	12²	electron	1200²
			hole	960²
GeS	24 × 20	12 × 10	electron	720 × 600
			hole	600 × 500
WSe₂	12²	24²	electron	720²
			hole	840²

Brillouin zone grids employed for aiBTE calculations of carrier mobility of compounds in Set D, plus the four additional compounds MoS₂, h-Bi, GeS, and WSe₂. Unless otherwise specified, calculations are performed at room temperature (300 K), for a carrier concentration of 10¹⁰ cm⁻². {k_c} and {q_c} refer to the coarse Brillouin zone grids for electron and phonon wavevectors in DFT and DFPT calculations, respectively. {k_f} and {q_f} indicate to the electron and phonon fine grids employed with Wannier–Fourier interpolation in EPW, respectively. Fine grids are determined by converging mobility values to an accuracy of less than 1 cm²/Vs.

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