. 2017 Jan 31;4:160134. doi: 10.1038/sdata.2016.134

Table 4. Comparison with experimental data.

Compound	MP ID	$ε_{p o l y}$	$ε_{p o l y}^{e x p .}$	Compound	MP ID	$ε_{p o l y}$	$ε_{p o l y}^{e x p .}$
MnF₂	mp-560902	7.12	8.15³²	AgI	mp-22894	7.16	7.00³³
RbBr	mp-22867	5.69	4.90³⁴	Li₃N	mp-2251	10.69	10.50³⁵
BN	mp-984	4.68	6.39³⁶	GaN	mp-830	10.96	9.80³⁷
BP	mp-1479	9.27	11.00³⁸	AgI	mp-22925	7.32	7.00³³
NiF₂	mp-559798	5.20	5.20³⁹	RbI	mp-22903	5.69	4.94³⁴
MoS₂	mp-2815	9.76	12.72⁴⁰	RbCl	mp-23295	5.65	4.91³⁴
CaSe	mp-1415	12.47	7.80⁴¹	KN₃	mp-827	6.21	6.85⁴²
ZnO	mp-1986	11.35	9.08³⁴	HgS	mp-9252	12.33	18.20⁴³
SiC	mp-7140	10.58	9.78⁴⁴	ZnTe	mp-8884	11.52	10.10⁴³
MoSe₂	mp-1634	11.73	18.00⁴⁵	ZnF₂	mp-1873	8.14	7.40³⁹
ZnS	mp-560588	9.10	8.32⁴⁶	LaCl₃	mp-22896	10.22	8.56⁴⁷
Ga₂Se₃	mp-1340	12.03	10.95⁴⁸	Cr₂O₃	mp-19399	11.05	12.83³⁴
AsF₃	mp-28027	5.24	5.70³⁴	SnS₂	mp-9984	12.48	13.86⁴⁹
PI₃	mp-27529	4.11	3.66⁵⁰	BaSe	mp-1253	14.13	10.70⁴¹
SrSe	mp-2758	11.89	8.50⁴¹	GaS	mp-2507	7.57	8.63⁵¹
As₂Se₃	mp-909	10.41	13.40⁵²	SiC	mp-11714	10.54	9.70⁵³
InSe	mp-22691	9.68	7.53⁵⁴	HCl	mp-632326	2.77	4.00⁵⁵
TlF	mp-558134	39.49	35.00⁵⁶	FeS₂	mp-226	28.24	24.11⁵⁷
KMgF₃	mp-3448	6.88	6.97⁵⁸	KBrO₃	mp-22958	7.12	7.30³⁴
KMnF₃	mp-555123	13.39	9.75⁵⁸	KMnF₃	mp-555359	9.96	9.75⁵⁸
AlCuS₂	mp-4979	8.68	7.78⁵⁹	Cd(GaS₂)₂	mp-4452	9.52	11.40⁶⁰
ZnSiP₂	mp-4763	12.42	11.52⁶⁰	AlPO₄	mp-7848	3.78	6.05³⁴
GaCuS₂	mp-5238	11.55	9.53⁶¹	ZnSnP₂	mp-4175	15.58	10.00⁶⁰
BaSnO₃	mp-3163	22.51	18.00³⁴	Cd(GaSe₂)₂	mp-3772	11.06	9.20⁶⁰
NaNO₂	mp-2964	5.27	6.35⁶²	GaAgS₂	mp-5342	10.49	8.41⁶⁰
BiTeI	mp-22965	23.74	14.50⁶⁰