Table 5 List of computed compounds (No. 91–161) in the database and their Raman information, such as Raman-active frequencies and Raman intensities.

From: A database of computed Raman spectra of inorganic compounds with accurate hybrid functionals

Compound [ICSD, S.G.]	Raman Table	Compound [ICSD, S.G.]	Raman Table
ZnF₂ [280605, 136]	ZnF2_136_icsd280605	AsS [360, 14]	AsS_14_icsd360
SiO₂ [90145, 152]	SiO2_152_icsd90145	LiP₅ [88710, 33]	LiP5_33_icsd88710
Li₃P₇ [60774, 19]	Li3P7_19_icsd60774	CaMgCO₃₂ [52149, 148]	CaMgCO32_148_icsd52149
Bi₂Se₃ [60205, 62]	Bi2Se3_62_icsd60205	K₃Na(SO₄)₂ [26014, 164]	K3Na(SO4)2_164_icsd26014
ZnP₄ [40428, 92]	ZnP4_92_icsd40428	KNbO₃ [190923, 160]	KNbO3_160_icsd190923
NaHCO₃ [18183, 14]	NaHCO3_14_icsd18183	NaMgF₃ [72318, 62]	NaMgF3_62_icsd72318
ZnAs [427612, 61]	ZnAs_61_icsd427612	Mg₃(PO₄)₂ [31005, 14]	Mg3(PO4)2_14_icsd31005
As₂Se₃ [29535, 14]	As2Se3_14_icsd29535	SiC [156190, 186]	SiC_186_icsd156190
CaTiO₃ [62149, 62]	CaTiO3_62_icsd62149	Ag₃AsS₃ [36352, 15]	Ag3AsS3_15_icsd36352
CaCO₃ [15194, 62]	CaCO3_62_icsd15194	As₂O₃ [238665, 14]	As2O3_14_icsd238665
Li₃N [156894, 191]	Li3N_191_icsd156894	BaSO₄ [33730, 62]	BaSO4_62_icsd33730
NaP [14009, 19]	NaP_19_icsd14009	Li₂O₂ [50658, 194]	Li2O2_194_icsd50658
SbI₃ [30906, 14]	SbI3_14_icsd30906	CoAsS [610107, 198]	CoAsS_198_icsd610107
AsO₂ [10436, 62]	AsO2_62_icsd10436	FeS₂ [316, 205]	FeS2_205_icsd316
CuBiS₂ [34936, 62]	CuBiS2_62_icsd34936	Sb₂O₅ [1422, 15]	Sb2O5_15_icsd1422
P2O₅ [79698, 62]	P2O5_62_icsd79698	CaMg₃(CO₃)₄ [201729, 155]	CaMg3(CO3)4_155_icsd201729
AsBr₃ [26774, 19]	AsBr3_19_icsd26774	LiCaAlF₆ [150332, 163]	LiCaAlF6_163_icsd150332
Sb₂PbO₆ [81387, 162]	Sb2PbO6_162_icsd81387	As₂Se₃ [291473, 12]	As2Se3_12_icsd291473
Ca₂CO₃F₂ [100607, 60]	Ca2CO3F2_60_icsd100607	SiO₂ [403365, 92]	SiO2_92_icsd403365
PbSO₄ [16916, 62]	PbSO4_62_icsd16916	NaBe₄SbO₇ [27599, 186]	NaBe4SbO7_186_icsd27599
KAlSiO₄ [83449, 159]	KAlSiO4_159_icsd83449	RuS₂ [68472, 205]	RuS2_205_icsd68472
BaBe₂Si₂O₇ [20409, 31]	BaBe2Si2O7_31_icsd20409	BaSi₂O₅ [100313, 62]	BaSi2O5_62_icsd100313
Ag₂S [262636, 14]	Ag2S_14_icsd262636	Na₂Si₂O₅ [34688, 14]	Na2Si2O5_14_icsd34688
SbO₂ [153154, 33]	SbO2_33_icsd153154	PSe [74878, 14]	PSe_14_icsd74878
TlAsS₂ [81094, 14]	TlAsS2_14_icsd81094	CaCO₃ [18166, 167]	CaCO3_167_icsd18166
Al₂SiO₅ [24275, 58]	Al2SiO5_58_icsd24275	ZnN₆ [430428, 14]	ZnN6_14_icsd430428
SbCl₅ [250363, 194]	SbCl5_194_icsd250363	AsI₃ [23003, 148]	AsI3_148_icsd23003
As₂O₃ [238612, 227]	As2O3_227_icsd238612	ZnCl₂ [2459, 33]	ZnCl2_33_icsd2459
Li₂S [657596, 225]	Li2S_225_icsd657596	P₄O₉ [300205, 167]	P4O9_167_icsd300205
KBF₄ [9875, 62]	KBF4_62_icsd9875	MgCO₃ [80870, 167]	MgCO3_167_icsd80870
SbI₃ [26082, 148]	SbI3_148_icsd26082	Na₂S₅ [430333, 32]	Na2S5_32_icsd430333
Na₂S₅ [38349, 62]	Na2S5_62_icsd38349	Na₃P [433838, 185]	Na3P_185_icsd433838
P₄O₇ [16452, 14]	P4O7_14_icsd16452	SbBr₃ [14217, 19]	SbBr3_19_icsd14217
Cu₂O [172174, 224]	Cu2O_224_icsd172174	Sb₂Te₃ [2084, 166]	Sb2Te3_166_icsd2084
WS₂ [202366, 194]	WS2_194_icsd202366	Na₂Ca(SO₄)₂ [16901, 15]	Na2Ca(SO4)2_15_icsd16901
Li₃PO₄ [257439, 31]	Li3PO4_31_icsd257439

The database currently contains 161 compounds and constantly grows. ICSD codes and space group (S.G.) numbers, of compounds are provided.

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Table 5 List of computed compounds (No. 91–161) in the database and their Raman information, such as Raman-active frequencies and Raman intensities.

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