≤nAtoms≤
≤nElements≤
Space Group:
≤ Gap ≤
≤ Dir. Gap ≤
≤ Met. ≤
Formula
Composition
01ν2ν3)
Source ID

13628 materials founds

Formula Source ID space group centered nat ne dim gap dir. gap met. ν wcc updated
Hg2GeSe4 ICSD 636599 I-4 (82) 7 52 3 0.4485 0.449 0.000 (0;000) 06/10/16
BaTe ICSD 616162 Pm-3m (221) 2 16 1 0.4495 0.532 0.000 (0;000) 05/01/17
KCO3 COD 9010292 P2_1/c (14) 20 124 1 0.4508 0.493 0.000 (0;000) 02/02/17
BaLiAs ICSD 56445 P-6m2 (187) 3 18 1 0.4512 0.451 0.000 (0;000) 06/10/16
AgCl ICSD 31108 P4/mmm (123) 2 18 1 0.4513 0.682 0.000 (0;000) 05/01/17
CdP4 ICSD 620212 P2_1/c (14) 10 64 2 0.4513 0.519 0.000 (0;000) 02/02/17
LiIO3 ICSD 35473 P6_3 (173) 10 56 3 0.4522 0.636 0.000 (0;000) 29/11/16
NaHgCl3 ICSD 38302 Pnma (62) 20 168 1 0.4532 0.453 0.000 (0;000) 02/02/17
Sr2FeWO6 ICSD 153430 P2_1/c (14) 20 156 3 0.4533 0.457 0.000 (0;000) 02/02/17
Ta2O5 ICSD 280397 C2 (5) 7 56 3 0.4534 1.346 0.000 (0;000) 06/10/16
Y2CdSe4 ICSD 620457 Fd-3m (227) 14 116 3 0.4534 0.453 0.000 (0;000) 02/02/17
LiIO3 ICSD 35472 P6_3 (173) 10 56 3 0.4539 0.635 0.000 (0;000) 06/10/16
Hg2GeSe4 ICSD 96180 I-4 (82) 7 52 3 0.4544 0.454 0.000 (0;000) 06/10/16
Ag3SI ICSD 201005 R3 (146) 5 46 3 0.4545 1.022 0.000 (0;000) 28/11/16
Sr(P3Pt2)2 ICSD 62517 C2/c (15) 22 160 3 0.4578 0.637 0.000 (0;000) 07/08/17
GePtSe ICSD 2595 P2_1ab (29) 12 80 3 0.458 0.602 0.000 (0;000) 06/10/16
TiNiSn ICSD 174568 F-43m (216) 3 36 3 0.4583 1.126 0.000 (0;000) 15/02/17
KZn4P3 COD 4326070 R-3m (166) 8 72 2 0.4584 0.500 0.000 (0;000) 27/01/17
RbCu3S2 COD 8100809 C2/m (12) 12 108 1 0.4589 0.459 0.000 (0;000) 02/02/17
SrP ICSD 26262 P-62m (189) 12 90 1 0.4592 1.096 0.000 (0;000) 10/04/17
CdP4 ICSD 25605 P2_1/c (14) 10 64 2 0.4602 0.528 0.000 (0;000) 06/10/16
GaAgSe2 ICSD 156127 I-42d (122) 8 72 3 0.4613 0.465 0.000 (0;000) 07/10/16
VCu3Te4 ICSD 629351 P-43m (215) 8 70 3 0.4613 0.880 0.000 (0;000) 06/10/16
ScTlSe2 ICSD 418475 R-3m (166) 4 36 3 0.4619 1.083 0.000 (0;000) 27/01/17
PtN2 ICSD 157940 Pmnn (58) 6 40 3 0.4621 0.732 0.000 (0;000) 06/10/16
Rb2Ni3S4 ICSD 646311 Fmmm (69) 9 72 1 0.4636 0.610 0.000 (0;000) 27/01/17
SiO2 COD 4124079 P2/c (13) 12 64 3 0.4641 0.464 0.000 (0;000) 27/01/17
SrBiS2F ICSD 250892 P4/nmm (129) 10 88 1 0.4653 0.478 0.000 (0;000) 02/02/17
Ba(CuTe)2 ICSD 51444 Pnma (62) 20 176 3 0.4661 0.483 0.000 (0;000) 02/02/17
Ge COD 9011057 P4_32_12 (96) 12 48 3 0.4676 0.468 0.000 (0;000) 22/03/17
KSO4 COD 1010892 P-1 (2) 12 78 1 0.4677 0.523 0.000 (0;000) 27/01/17
Fe2P2O7 COD 4000291 P2_1/c (14) 22 136 3 0.4683 0.487 0.000 (0;000) 04/08/17
K4Ru2Cl10O ICSD 8054 I4/mmm (139) 17 144 1 0.4691 0.477 0.000 (0;000) 02/02/17
CuAgS COD 8103391 Cmcm (63) 6 56 3 0.4708 0.549 0.000 (0;000) 05/01/17
Rb4CO4 ICSD 245430 R3m (160) 9 64 1 0.472 0.532 0.000 (0;000) 06/10/16
LiAs COD 9008949 P2_1/c (14) 16 64 1 0.4721 0.668 0.000 (0;000) 30/01/17
K3AuO COD 1510209 Pm-3m (221) 5 44 1 0.4723 0.529 0.000 (0;000) 05/01/17
K3NO3 ICSD 37204 I4cm (108) 14 100 1 0.4742 0.571 0.000 (0;000) 29/03/17
CsTe4 ICSD 47182 P2_1/c (14) 20 132 3 0.4746 0.475 0.000 (0;000) 02/02/17
TlSbSe2 ICSD 36537 P2_1 (4) 16 120 3 0.475 0.475 0.000 (0;000) 11/04/17
LiBeSb ICSD 100114 P6_3mc (186) 6 24 1 0.477 0.920 0.000 (0;000) 06/10/16
PtO2 ICSD 202407 Pmnn (58) 6 44 3 0.4791 0.746 0.000 (0;000) 06/10/16
LiBeSb ICSD 616318 P6_3mc (186) 6 24 1 0.4792 0.920 0.000 (0;000) 06/10/16
Ag3SI ICSD 93431 R3 (146) 5 46 3 0.4794 0.925 0.000 (0;000) 06/10/16
Ca3BN3 COD 1511018 P4/mmm (123) 7 48 1 0.4803 0.491 0.000 (0;000) 05/01/17
Rb2ZrTe3 ICSD 410735 P2_1/c (14) 24 160 1 0.4805 0.481 0.000 (0;000) 04/08/17
LiSbS2 ICSD 427506 C2/c (15) 8 40 1 0.4822 0.520 0.000 (0;000) 27/01/17
HfTlCuSe3 ICSD 82563 Cmcm (63) 12 108 3 0.4825 0.512 0.000 (0;000) 02/02/17
NaLi2Sb ICSD 54244 Fm-3m (225) 4 20 1 0.483 1.512 0.000 (0;000) 27/01/17
KTe ICSD 73174 P6_3/mmc (194) 8 60 1 0.4835 0.484 0.000 (0;000) 02/02/17
NaHf2CuSe5 ICSD 98476 Cmcm (63) 18 148 1 0.4844 0.487 0.000 (0;000) 02/02/17
Ca(BC)2 ICSD 88019 I4/mcm (140) 10 48 2 0.4846 1.005 0.000 (0;000) 27/01/17
Hf2SN2 ICSD 250915 P-3m1 (164) 5 40 3 0.4848 1.577 0.000 (0;000) 27/01/17
LiBeB ICSD 191999 Im2m (44) 12 40 2 0.486 0.968 0.000 (0;000) 06/10/16
GeP ICSD 637492 C2/m (12) 12 54 3 0.4879 0.651 0.000 (0;000) 02/02/17
BaGe2 ICSD 409260 Pnma (62) 24 144 1 0.4882 0.617 0.000 (0;000) 04/08/17
CdSi(CuS2)2 ICSD 16924 Pmn2_1 (31) 16 124 3 0.4888 0.489 0.000 (0;000) 26/04/17
Ba(CuSe)2 COD 1521194 Pnma (62) 20 176 3 0.4905 0.491 0.000 (0;000) 02/02/17
PtS2 COD 5910085 P-3m1 (164) 3 22 2 0.4919 1.185 0.000 (0;000) 27/01/17
K2P2Pd COD 7221367 Cmcm (63) 10 92 2 0.4933 0.567 0.000 (0;000) 02/02/17
FeSbS COD 9000017 P2_1/c (14) 12 76 3 0.4941 0.589 0.000 (0;000) 27/01/17
V2O5 COD 9000091 C2/m (12) 7 56 2 0.4944 0.760 0.000 (0;000) 27/01/17
FeMoO4 ICSD 43013 C2/m (12) 24 184 3 0.4944 0.494 0.000 (0;000) 04/08/17
CuBSe2 ICSD 613591 I-42d (122) 8 52 3 0.4946 0.501 0.000 (0;000) 07/10/16
CdSe2 ICSD 620416 Pa3 (205) 12 96 3 0.4947 0.650 0.000 (0;000) 02/02/17
SnC ICSD 182365 F-43m (216) 2 18 3 0.4951 0.495 0.000 (0;000) 06/10/16
HgF2 COD 9009017 Fm-3m (225) 3 26 3 0.4966 0.497 0.000 (0;000) 27/01/17
FeCl2 COD 9014952 R-3m (166) 3 22 2 0.4967 0.504 0.000 (0;000) 27/01/17
SnSe ICSD 16997 Pmcn (62) 8 80 2 0.4969 0.652 0.000 (0;000) 06/10/16
SnSe COD 9008786 Pnma (62) 8 80 2 0.4969 0.652 0.000 (0;000) 02/02/17
SrLiSb COD 1528545 Pnma (62) 12 72 1 0.4973 0.497 0.000 (0;000) 02/02/17
VPO5 ICSD 77598 P4/n (85) 14 96 2 0.4974 0.497 0.000 (0;000) 27/01/17
Li3Sb COD 1011380 Fm-3m (225) 4 14 1 0.4978 2.071 0.000 (0;000) 27/01/17
Y6PdBr10 ICSD 424467 P-1 (2) 17 154 3 0.498 0.589 0.000 (0;000) 02/02/17
Ag2O3 COD 1509692 Fdd2 (43) 10 80 3 0.4982 0.687 0.000 (0;000) 16/03/17
SnSe ICSD 186650 Pmnb (62) 8 80 2 0.4992 0.652 0.000 (0;000) 06/10/16
LiAuI4 COD 1510187 P2_1/c (14) 12 84 1 0.4995 0.624 0.000 (0;000) 02/02/17
TaBi4ClO8 ICSD 59601 P4/mmm (123) 14 128 1 0.4995 1.233 0.000 (0;000) 02/02/17
SbTeOs ICSD 647762 P2_1/c (14) 12 108 3 0.5002 0.830 0.000 (0;000) 02/02/17
PRuS ICSD 648023 P2_1/c (14) 12 108 3 0.5007 0.858 0.000 (0;000) 27/01/17
TiFeO3 ICSD 79278 R3c (161) 10 76 3 0.5011 0.525 0.000 (0;000) 06/10/16
KCO3 COD 9010971 P2_1/c (14) 20 124 1 0.5021 0.560 0.000 (0;000) 02/02/17
CuSbSe2 ICSD 418754 Pnma (62) 16 112 3 0.5026 0.553 0.000 (0;000) 02/02/17
KSnAs ICSD 610765 P6_3mc (186) 6 56 1 0.5034 0.530 0.000 (0;000) 06/10/16
Cu2HgI4 ICSD 25591 I-42m (121) 7 62 3 0.5039 0.504 0.000 (0;000) 07/10/16
Tl2S ICSD 27464 P6_3/mmc (194) 6 64 1 0.5041 0.613 0.000 (0;000) 02/02/17
CdTe ICSD 67862 P3_121 (152) 6 54 3 0.5051 0.741 0.000 (0;000) 06/10/16
ZnCdSe2 ICSD 188387 P-4m2 (115) 4 36 3 0.5052 0.505 0.000 (0;000) 07/10/16
SiHgP2 ICSD 247969 I-42d (122) 8 52 3 0.507 0.507 0.000 (0;000) 07/10/16
AgBi2S3Cl ICSD 412372 P2_1/m (11) 14 132 3 0.5086 0.764 0.000 (0;000) 30/01/17
PdBr2 ICSD 27443 C2/c (15) 6 64 1 0.509 0.945 0.000 (0;000) 27/01/17
CoSbS ICSD 624862 P2_13 (198) 12 112 3 0.5093 0.743 0.000 (0;000) 15/02/17
AlAuO2 COD 1531586 P6_3/mmc (194) 8 52 3 0.5094 1.563 0.000 (0;000) 05/01/17
NaZrCuS3 ICSD 73887 Cmcm (63) 12 84 2 0.5112 0.542 0.000 (0;000) 02/02/17
Ag2HgS2 COD 9009717 P2_1/c (14) 10 92 3 0.5114 0.511 0.000 (0;000) 30/01/17
As2Se3 ICSD 611373 C2/m (12) 10 56 1 0.5143 0.533 0.000 (0;000) 30/01/17
NaInO2 ICSD 31932 R-3m (166) 4 34 3 0.5146 0.664 0.000 (0;000) 27/01/17
Sn3N4 ICSD 89525 Fd-3m (227) 14 124 3 0.5158 0.516 0.000 (0;000) 27/01/17
PRuSe ICSD 648028 P2_1/c (14) 12 108 3 0.5164 0.893 0.000 (0;000) 27/01/17
CuTe2Cl ICSD 641 P2_1/c (14) 16 120 2 0.517 0.717 0.000 (0;000) 02/02/17