≤nAtoms≤
≤nElements≤
Space Group:
≤ Gap ≤
≤ Dir. Gap ≤
≤ Met. ≤
Formula
Composition
(ν0,ν1ν2ν3)
Source ID

13628 materials founds

▹ Formula ▹ Source ▹ ID ▹ space group ▹ centered ▹ nat ▹ ne ▹ dim ▴ gap ▹ dir. gap ▹ met. ▹ ν wcc ▹ updated
Sr3(SiAs2)2 COD 1528461 C2/c (15) ✔ 18 116 1 0.8782 0.878 0.000 (0;000) ✗ 30/01/17
TaCuO3 ICSD 164934 R3c (161) ✗ 10 84 3 0.8785 0.879 0.000 (0;000) ✗ 06/10/16
SnI4 ICSD 18010 P-43m (215) ✗ 5 42 1 0.8791 0.882 0.000 (0;000) ✗ 06/10/16
Cd(InTe2)2 ICSD 620058 I-4 (82) ✗ 7 62 3 0.8795 0.880 0.000 (0;000) ✗ 06/10/16
Na2LiN COD 1526567 P4/nmm (129) ✔ 8 52 1 0.8797 0.880 0.000 (0;000) ✗ 27/01/17
WS2 ICSD 202367 R3m (160) ✗ 3 26 2 0.8802 1.635 0.000 (0;000) ✗ 06/10/16
H3I3N2 ICSD 27416 P2_1/m (11) ✔ 16 68 3 0.8803 1.057 0.000 (0;000) ✗ 02/02/17
CoAsS ICSD 31189 P2_1ca (29) ✗ 12 80 3 0.8804 1.143 0.000 (0;000) ✗ 06/10/16
MoS2 ICSD 644259 P6_3/mmc (194) ✔ 6 52 2 0.8813 1.652 0.000 (0;000) ✗ 27/01/17
BaSbClO2 ICSD 200962 Cmcm (63) ✔ 10 68 1 0.8819 2.937 1.000 (0;000) ✗ 02/02/17
In5Se5Cl ICSD 414220 P2_1/m (11) ✔ 22 204 3 0.8819 0.937 0.000 (0;000) ✗ 07/08/17
HgO2 ICSD 655816 C2/m (12) ✔ 3 24 3 0.8821 1.430 0.000 (0;000) ✗ 27/01/17
HgO2 ICSD 48214 C2/m (12) ✔ 3 24 3 0.8828 1.430 0.000 (0;000) ✗ 06/10/16
Na2PtSe2 ICSD 40429 Cmc2_1 (36) ✗ 10 80 1 0.8836 1.266 0.000 (0;000) ✗ 06/10/16
CO2 ICSD 188893 Cmce (64) ✔ 6 32 1 0.8836 1.332 0.000 (0;000) ✗ 27/01/17
RbBa4Sb3O ICSD 415036 I4/mcm (140) ✔ 18 140 1 0.8848 0.993 0.000 (0;000) ✗ 02/02/17
VAg3O4 COD 4001677 C2/c (15) ✔ 16 140 3 0.8865 1.160 0.000 (0;000) ✗ 30/01/17
Cs6InAs3 ICSD 300145 P2_1/m (11) ✔ 20 164 3 0.8866 0.887 0.000 (0;000) ✗ 21/03/17
CuSe3Br COD 1524480 Pmna (53) ✔ 20 144 3 0.8867 1.006 0.000 (0;000) ✗ 02/02/17
Ba(CuS)2 COD 1521193 Pnma (62) ✔ 20 176 3 0.8873 0.887 0.000 (0;000) ✗ 02/02/17
Cd(InSe2)2 ICSD 151954 I-4 (82) ✗ 7 62 3 0.8879 0.888 0.000 (0;000) ✗ 06/10/16
K4BeAs2 ICSD 300111 R-3m (166) ✔ 7 50 1 0.8884 0.888 0.000 (0;000) ✗ 30/01/17
K2NaGaAs2 ICSD 300129 Ibam (72) ✔ 12 100 1 0.8897 0.890 0.000 (0;000) ✗ 30/01/17
K4CdP2 ICSD 61084 R-3m (166) ✔ 7 58 1 0.89 0.963 0.000 (0;000) ✗ 02/02/17
Rb7NbAs4 ICSD 380111 Pmn2_1 (31) ✗ 24 192 1 0.8901 0.979 0.000 (0;000) ✗ 04/08/17
Al4C3 ICSD 14397 R3m (160) ✗ 7 24 3 0.8906 1.617 0.000 (0;000) ✗ 06/10/16
BaS3 COD 1010269 P2_12_12 (18) ✗ 16 112 3 0.8913 0.979 0.000 (0;000) ✗ 21/03/17
BaCdAsF ICSD 189938 P4/nmm (129) ✔ 8 68 1 0.8914 0.891 0.000 (0;000) ✗ 05/01/17
LiBeAs COD 7221252 P4/nmm (129) ✔ 6 24 1 0.8927 1.201 0.000 (0;000) ✗ 05/01/17
Rb2Te2Pt ICSD 649525 Immm (71) ✔ 5 40 1 0.8933 1.288 0.000 (0;000) ✗ 27/01/17
K2PdSe2 ICSD 641298 Immm (71) ✔ 5 48 1 0.8935 1.406 0.000 (0;000) ✗ 27/01/17
TlPAuSe3 COD 4000517 C2/m (12) ✔ 12 94 1 0.8936 1.034 0.000 (0;000) ✗ 02/02/17
GeS ICSD 637785 Pmnb (62) ✔ 8 40 2 0.8942 1.214 0.000 (0;000) ✗ 06/10/16
Ba2VN3 ICSD 80177 Cmce (64) ✔ 24 192 2 0.8948 0.895 0.000 (0;000) ✗ 04/08/17
SrPbO3 COD 2002889 Pnma (62) ✔ 20 168 3 0.8952 0.895 0.000 (0;000) ✗ 02/02/17
SrZnPF COD 7203808 P4/nmm (129) ✔ 8 68 1 0.8953 0.895 0.000 (0;000) ✗ 27/01/17
K3NaFeCl6 ICSD 23182 R-3m (166) ✔ 11 86 1 0.8954 0.895 0.000 (0;000) ✗ 02/02/17
HgI2 COD 9014434 P4_2/nmc (137) ✔ 6 52 2 0.8955 0.896 0.000 (0;000) ✗ 02/02/17
Sr5(AuO4)2 COD 2002552 F222 (22) ✗ 15 120 3 0.8956 0.898 0.000 (0;000) ✗ 21/03/17
NaH2N ICSD 14007 Fddd (70) ✔ 16 64 1 0.8969 0.913 0.000 (0;000) ✗ 27/01/17
NaSbS2 COD 1530128 P-1 (2) ✔ 8 52 1 0.898 0.898 0.000 (0;000) ✗ 27/01/17
RhF3 COD 2310599 R-3c (167) ✔ 8 76 3 0.8988 1.057 0.000 (0;000) ✗ 27/01/17
Sc2CdS4 ICSD 94994 Fd-3m (227) ✔ 14 116 3 0.8989 0.899 0.000 (0;000) ✗ 02/02/17
BiSeI COD 2010577 Pnma (62) ✔ 12 112 1 0.8997 0.935 0.000 (0;000) ✗ 02/02/17
Hg2As3Br ICSD 75169 C2/c (15) ✔ 12 92 3 0.9002 1.173 0.000 (0;000) ✗ 30/01/17
Tl2PAuS4 ICSD 85680 P2_1/m (11) ✔ 16 132 2 0.9005 0.970 0.000 (0;000) ✗ 02/02/17
Pb5(IF4)2 ICSD 36334 R3m (160) ✗ 15 140 1 0.903 1.450 0.000 (0;000) ✗ 11/04/17
HfTlCuS3 ICSD 82562 Cmcm (63) ✔ 12 108 3 0.9041 0.911 0.000 (0;000) ✗ 02/02/17
NaBrO3 COD 1010058 P2_13 (198) ✗ 20 136 1 0.9042 0.932 0.000 (0;000) ✗ 21/03/17
ZnO ICSD 190807 Fm-3m (225) ✔ 2 18 3 0.9046 2.298 0.000 (0;000) ✗ 27/01/17
GeS COD 9008784 Pnma (62) ✔ 8 40 2 0.9053 1.017 0.000 (0;000) ✗ 27/01/17
KZnP COD 7221374 P6_3/mmc (194) ✔ 6 52 2 0.9058 0.906 0.000 (0;000) ✗ 27/01/17
Pb4SeBr6 ICSD 21039 Imm2 (44) ✗ 11 104 3 0.9075 0.993 0.000 (0;000) ✗ 06/10/16
CuBi(WO4)2 ICSD 67569 P1 (1) ✗ 12 130 3 0.9085 0.914 0.000 (0;000) ✗ 11/04/17
Sb2O5 COD 9011205 C2/c (15) ✔ 14 80 3 0.9086 0.925 0.000 (0;000) ✗ 27/01/17
GaCuO2 ICSD 60846 R-3m (166) ✔ 4 36 3 0.9088 1.630 0.000 (0;000) ✗ 27/01/17
Ca2CrN3 COD 7012864 P-1 (2) ✔ 12 98 1 0.9093 1.042 0.000 (0;000) ✗ 27/01/17
AuCN ICSD 165175 P6mm (183) ✗ 3 20 3 0.9094 1.164 0.000 (0;000) ✗ 06/10/16
KNiIO6 ICSD 60313 P312 (149) ✗ 9 62 3 0.9095 0.930 0.000 (0;000) ✗ 15/02/17
TeAsRu ICSD 611299 P2_1/c (14) ✔ 12 108 3 0.9106 1.175 0.000 (0;000) ✗ 30/01/17
Rb2PtC2 COD 1526414 P-3m1 (164) ✔ 5 36 3 0.9106 0.913 0.000 (0;000) ✗ 27/01/17
CI COD 2212043 P2_1/c (14) ✔ 24 132 1 0.9107 1.054 0.000 (0;000) ✗ 04/08/17
Na3AlAs2 ICSD 63149 Ibam (72) ✔ 12 80 1 0.9112 1.002 0.000 (0;000) ✗ 30/01/17
Sc2S3 ICSD 22236 Fddd (70) ✔ 20 160 3 0.912 0.927 0.000 (0;000) ✗ 29/03/17
Hg2IO COD 9015189 C2/c (15) ✔ 16 148 3 0.9124 1.064 0.000 (0;000) ✗ 02/02/17
Mg(ScSe2)2 ICSD 642814 Fd-3m (227) ✔ 14 112 3 0.9141 0.914 0.000 (0;000) ✗ 02/02/17
RbInTe2 ICSD 75346 I4/mcm (140) ✔ 8 68 1 0.9151 1.411 0.000 (0;000) ✗ 02/02/17
Ba(AgS)2 COD 1509711 P-3m1 (164) ✔ 5 44 2 0.9156 0.916 0.000 (0;000) ✗ 05/01/17
Ta2Te4Br10O ICSD 401906 P-1 (2) ✔ 17 126 2 0.9159 1.069 0.000 (0;000) ✗ 02/02/17
Rb2PdCl6 COD 1010889 Fm-3m (225) ✔ 9 78 1 0.9163 0.957 0.000 (0;000) ✗ 02/02/17
Ba2PCl ICSD 28134 R-3m (166) ✔ 4 32 1 0.9165 0.956 0.000 (0;000) ✗ 05/01/17
SrLi4N2 ICSD 87413 I4_1/amd (141) ✔ 14 64 1 0.9167 1.149 0.000 (0;000) ✗ 29/03/17
CsCuO2 COD 1527507 Cmcm (63) ✔ 8 64 2 0.9188 1.187 0.000 (0;000) ✗ 27/01/17
Nb(SeBr)2 COD 4031460 P-1 (2) ✔ 10 78 2 0.919 0.973 0.000 (0;000) ✗ 02/02/17
As2Ir COD 9009907 P2_1/c (14) ✔ 12 108 3 0.92 0.945 0.000 (0;000) ✗ 30/01/17
BaLiP ICSD 416890 P6_3/mmc (194) ✔ 6 36 1 0.9216 0.963 0.000 (0;000) ✗ 05/01/17
Ca2SiO4 ICSD 182052 P-3m1 (164) ✔ 14 96 1 0.9223 0.925 0.000 (0;000) ✗ 27/01/17
KCuO2 COD 1530993 Cmcm (63) ✔ 8 64 2 0.923 1.302 0.000 (0;000) ✗ 27/01/17
Ag3SbS3 COD 9015009 R3c (161) ✗ 14 112 3 0.923 1.494 0.000 (0;000) ✗ 16/03/17
RbYTe2 ICSD 419996 P6_3/mmc (194) ✔ 8 64 2 0.923 1.605 0.000 (0;000) ✗ 02/02/17
As2Ir ICSD 42573 P2_1/c (14) ✔ 12 76 3 0.9232 1.038 0.000 (0;000) ✗ 06/10/16
TiO2 ICSD 189324 P-62m (189) ✗ 9 72 3 0.9234 0.923 0.000 (0;000) ✗ 06/10/16
KInTe2 COD 2001367 I4/mcm (140) ✔ 8 68 1 0.9234 1.267 0.000 (0;000) ✗ 02/02/17
KClO3 ICSD 9483 R3m (160) ✗ 5 34 2 0.924 0.993 0.000 (0;000) ✗ 06/10/16
Cd(InSe2)2 ICSD 151953 P-42m (111) ✗ 7 62 3 0.9242 0.924 0.000 (0;000) ✗ 07/10/16
BaSnS3 ICSD 616071 Pnma (62) ✔ 20 168 2 0.9252 1.180 0.000 (0;000) ✗ 02/02/17
Zn(RhO2)2 ICSD 109298 Fd-3m (227) ✔ 14 140 3 0.9258 0.934 0.000 (0;000) ✗ 27/01/17
Na2PdC2 ICSD 50172 P-3m1 (164) ✔ 5 44 3 0.926 1.020 0.000 (0;000) ✗ 27/01/17
OsCl4O ICSD 417247 P2_1/c (14) ✔ 24 200 1 0.926 0.942 0.000 (0;000) ✗ 04/08/17
SbSI ICSD 85299 P2_12_12_1 (19) ✗ 12 72 3 0.9264 1.109 0.000 (0;000) ✗ 06/10/16
Rb2PdSe2 ICSD 648724 Immm (71) ✔ 5 48 1 0.9267 1.384 0.000 (0;000) ✗ 27/01/17
Cs2PtBr6 ICSD 77381 Fm-3m (225) ✔ 9 70 1 0.9269 0.961 0.000 (0;000) ✗ 02/02/17
K3BrO ICSD 33920 Pm-3m (221) ✔ 5 40 1 0.9272 0.927 0.000 (0;000) ✗ 27/01/17
Tl2Sn(AsS3)2 COD 9012866 P-3 (147) ✔ 11 86 2 0.9286 0.958 0.000 (0;000) ✗ 30/01/17
TlPd3O4 ICSD 2275 Fm-3m (225) ✔ 16 182 3 0.9298 0.930 0.000 (0;000) ✗ 02/02/17
Hg2BrN ICSD 24706 P6_3/mmc (194) ✔ 16 144 3 0.9311 1.143 0.000 (0;000) ✗ 02/02/17
LiYMo3O8 ICSD 28526 P3m1 (156) ✗ 13 104 3 0.9313 0.931 0.000 (0;000) ✗ 15/02/17
InBi2Se4Br ICSD 159465 C2/m (12) ✔ 16 148 3 0.9314 0.934 0.000 (0;000) ✗ 02/02/17
SbSI ICSD 85298 P2_12_12_1 (19) ✗ 12 72 3 0.9316 1.107 0.000 (0;000) ✗ 06/10/16
CuI ICSD 24772 P6_3mc (186) ✗ 4 36 3 0.9338 0.934 0.000 (0;000) ✗ 06/10/16