▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▴ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
TeI | COD | 2000148 | P-1 (2) | ✔ | 16 | 104 | 1 | 0.7663 | 0.767 | 0.000 | (0;000) | ✗ | 02/02/17 |
KPt2Se3 | ICSD | 69438 | R-3m (166) | ✔ | 12 | 94 | 2 | 0.768 | 0.768 | 0.000 | (0;000) | ✗ | 02/02/17 |
I | COD | 1512512 | Cmce (64) | ✔ | 4 | 28 | 1 | 0.7424 | 0.768 | 0.000 | (0;000) | ✗ | 30/01/17 |
ZnO | ICSD | 154486 | P6_3mc (186) | ✗ | 4 | 36 | 3 | 0.7686 | 0.769 | 0.000 | (0;000) | ✗ | 06/10/16 |
VS4 | ICSD | 16797 | C2/c (15) | ✔ | 20 | 148 | 2 | 0.6894 | 0.769 | 0.000 | (0;000) | ✗ | 02/02/17 |
ZnO | ICSD | 290968 | P2_1 (4) | ✗ | 4 | 36 | 0 | 0.7688 | 0.769 | 0.000 | (0;000) | ✗ | 06/10/16 |
WO3 | COD | 1521532 | P4/ncc (130) | ✔ | 16 | 184 | 3 | 0.7681 | 0.769 | 0.000 | (0;000) | ✗ | 11/04/17 |
NbSeBr3 | ICSD | 75362 | P2/c (13) | ✔ | 20 | 160 | 1 | 0.6371 | 0.769 | 0.000 | (0;000) | ✗ | 02/02/17 |
MoSBr | ICSD | 163308 | F-43m (216) | ✗ | 12 | 108 | 3 | 0.7669 | 0.770 | 0.000 | (0;000) | ✗ | 21/03/17 |
BaSi2 | COD | 1526653 | Pnma (62) | ✔ | 24 | 144 | 1 | 0.6531 | 0.771 | 0.000 | (0;000) | ✗ | 04/08/17 |
ScSbPt | ICSD | 77948 | F-43m (216) | ✗ | 3 | 26 | 3 | 0.5411 | 0.771 | 0.000 | (0;000) | ✗ | 15/02/17 |
SiAg2O3 | COD | 1509695 | P2_12_12_1 (19) | ✗ | 24 | 176 | 3 | 0.7676 | 0.773 | 0.000 | (0;000) | ✗ | 04/08/17 |
Ba(CdP)2 | ICSD | 30915 | P-3m1 (164) | ✔ | 5 | 44 | 2 | 0.7653 | 0.773 | 0.000 | (0;000) | ✗ | 05/01/17 |
KLi2As | ICSD | 78938 | Pmmn (59) | ✔ | 8 | 40 | 1 | 0.7738 | 0.774 | 0.000 | (0;000) | ✗ | 05/01/17 |
RbAuI3 | COD | 2206809 | C2/m (12) | ✔ | 10 | 82 | 1 | 0.64 | 0.778 | 0.000 | (0;000) | ✗ | 02/02/17 |
ZrFeCl6 | ICSD | 39666 | P-31c (163) | ✔ | 16 | 108 | 2 | 0.7473 | 0.778 | 0.000 | (0;000) | ✗ | 02/02/17 |
In2S3 | COD | 7221366 | R-3c (167) | ✔ | 10 | 88 | 3 | 0.5499 | 0.778 | 0.000 | (0;000) | ✗ | 02/02/17 |
Sr(CdP)2 | ICSD | 30912 | P-3m1 (164) | ✔ | 5 | 44 | 2 | 0.7783 | 0.778 | 0.000 | (0;000) | ✗ | 27/01/17 |
HgSe | ICSD | 56210 | Fm-3m (225) | ✔ | 2 | 18 | 3 | 0.0 | 0.779 | 0.318 | (0;000) | ✗ | 27/01/17 |
RbTeAu | COD | 1510283 | Pmma (51) | ✔ | 6 | 52 | 1 | 0.7785 | 0.779 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ca6GaN5 | ICSD | 33795 | P6_3/mcm (193) | ✔ | 24 | 196 | 1 | 0.6712 | 0.779 | 0.000 | (0;000) | ✗ | 04/08/17 |
ReI3 | ICSD | 25114 | P2_1/m (11) | ✔ | 24 | 216 | 2 | 0.7756 | 0.780 | 0.000 | (0;000) | ✗ | 04/08/17 |
CuAgS | ICSD | 66580 | Ccm2_1 (36) | ✗ | 6 | 56 | 3 | 0.6245 | 0.780 | 0.000 | (0;000) | ✗ | 06/10/16 |
BaP3 | ICSD | 23618 | C2/m (12) | ✔ | 8 | 50 | 1 | 0.6198 | 0.781 | 0.000 | (0;000) | ✗ | 05/01/17 |
Y2S3 | ICSD | 651407 | Pnma (62) | ✔ | 20 | 160 | 3 | 0.7809 | 0.781 | 0.000 | (0;000) | ✗ | 02/02/17 |
YGaI | ICSD | 417149 | P-3m1 (164) | ✔ | 6 | 62 | 2 | 0.0 | 0.781 | 0.317 | (0;000) | ✗ | 22/03/17 |
K4HgAs2 | ICSD | 402573 | R-3m (166) | ✔ | 7 | 58 | 1 | 0.7813 | 0.781 | 0.000 | (0;000) | ✗ | 30/01/17 |
FeP2 | ICSD | 633072 | Pnnm (58) | ✔ | 6 | 36 | 3 | 0.3465 | 0.782 | 0.000 | (0;000) | ✗ | 27/01/17 |
TlPt2S3 | ICSD | 78784 | P-3m1 (164) | ✔ | 12 | 102 | 2 | 0.7331 | 0.783 | 0.000 | (0;000) | ✗ | 02/02/17 |
HfFeCl6 | ICSD | 39817 | P-31c (163) | ✔ | 16 | 124 | 2 | 0.7637 | 0.783 | 0.000 | (0;000) | ✗ | 02/02/17 |
BaYAgTe3 | ICSD | 88717 | Cmcm (63) | ✔ | 12 | 100 | 1 | 0.4318 | 0.783 | 0.000 | (0;000) | ✗ | 30/01/17 |
LiBiO2 | ICSD | 46022 | Ibam (72) | ✔ | 16 | 120 | 1 | 0.7817 | 0.785 | 0.000 | (0;000) | ✗ | 21/03/17 |
Te3(PdBr)4 | ICSD | 418003 | P-1 (2) | ✔ | 22 | 236 | 3 | 0.6609 | 0.785 | 0.000 | (0;000) | ✗ | 07/08/17 |
Ag2PdO2 | COD | 1509691 | Immm (71) | ✔ | 5 | 52 | 3 | 0.0 | 0.786 | 0.083 | (0;000) | ✗ | 05/01/17 |
Cs2Sb2Pd | ICSD | 658702 | Cmcm (63) | ✔ | 10 | 92 | 3 | 0.6383 | 0.788 | 0.000 | (0;000) | ✗ | 02/02/17 |
BiSeBr | ICSD | 76649 | Pnma (62) | ✔ | 12 | 112 | 1 | 0.595 | 0.788 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ta3SBr7 | ICSD | 51101 | Cm (8) | ✗ | 11 | 94 | 2 | 0.7877 | 0.789 | 0.000 | (0;000) | ✗ | 06/10/16 |
SrTiN2 | ICSD | 85770 | P4/nmm (129) | ✔ | 8 | 64 | 2 | 0.7908 | 0.791 | 0.000 | (0;000) | ✗ | 27/01/17 |
FeSi2 | COD | 2106045 | Cmce (64) | ✔ | 24 | 128 | 3 | 0.7214 | 0.791 | 0.000 | (0;000) | ✗ | 04/08/17 |
Tl2Au4S3 | COD | 7109280 | Pmmn (59) | ✔ | 18 | 176 | 3 | 0.7914 | 0.791 | 0.000 | (0;000) | ✗ | 21/03/17 |
CdSiAs2 | ICSD | 22187 | I-42d (122) | ✗ | 8 | 52 | 3 | 0.7902 | 0.792 | 0.000 | (0;000) | ✗ | 07/10/16 |
Pb | ICSD | 105158 | R-3m (166) | ✔ | 2 | 28 | 1 | 0.0 | 0.792 | 0.047 | (0;000) | ✗ | 02/02/17 |
AlSb | ICSD | 190422 | P6_3mc (186) | ✗ | 4 | 16 | 3 | 0.7926 | 0.793 | 0.000 | (0;000) | ✗ | 06/10/16 |
Y2Cl3 | ICSD | 23337 | C2/m (12) | ✔ | 10 | 86 | 3 | 0.7252 | 0.793 | 0.000 | (0;000) | ✗ | 02/02/17 |
BaSiC | ICSD | 168413 | I4mm (107) | ✗ | 3 | 18 | 1 | 0.0347 | 0.793 | 0.000 | (0;000) | ✔ | 07/10/16 |
Ga2Os | COD | 1522721 | Fddd (70) | ✔ | 6 | 84 | 3 | 0.5627 | 0.794 | 0.000 | (0;000) | ✗ | 27/01/17 |
Ga2Os | ICSD | 103785 | Fddd (70) | ✔ | 6 | 84 | 3 | 0.5627 | 0.794 | 0.000 | (0;000) | ✗ | 06/10/16 |
CdSiAs2 | ICSD | 609979 | I-42d (122) | ✗ | 8 | 52 | 3 | 0.7925 | 0.794 | 0.000 | (0;000) | ✗ | 15/02/17 |
Zn(GaTe2)2 | ICSD | 635531 | I-4 (82) | ✗ | 7 | 62 | 3 | 0.7942 | 0.794 | 0.000 | (0;000) | ✗ | 06/10/16 |
Tl3BSe3 | COD | 1511327 | P2_1/m (11) | ✔ | 14 | 120 | 1 | 0.7064 | 0.794 | 0.000 | (0;000) | ✗ | 02/02/17 |
CO2 | COD | 9009242 | Pbcn (60) | ✔ | 12 | 64 | 1 | 0.5282 | 0.795 | 0.000 | (0;000) | ✗ | 27/01/17 |
K4CO4 | ICSD | 245421 | Cm (8) | ✗ | 9 | 64 | 3 | 0.521 | 0.796 | 0.000 | (0;000) | ✗ | 06/10/16 |
Pd(Se3Br)2 | ICSD | 418160 | P-1 (2) | ✔ | 9 | 68 | 2 | 0.7959 | 0.796 | 0.000 | (0;000) | ✗ | 02/02/17 |
BaZrS3 | ICSD | 616104 | Pnma (62) | ✔ | 20 | 128 | 3 | 0.796 | 0.796 | 0.000 | (0;000) | ✗ | 02/02/17 |
LiAsSe2 | ICSD | 248116 | Cc (9) | ✗ | 8 | 40 | 1 | 0.6983 | 0.797 | 0.000 | (0;000) | ✗ | 06/10/16 |
PPdSe | COD | 9012269 | Pbcn (60) | ✔ | 24 | 232 | 2 | 0.729 | 0.798 | 0.000 | (0;000) | ✗ | 04/08/17 |
Na4CO4 | ICSD | 245416 | R3 (146) | ✗ | 9 | 64 | 3 | 0.4066 | 0.800 | 0.000 | (0;000) | ✔ | 06/10/16 |
BiRhS | ICSD | 617013 | P2_13 (198) | ✗ | 12 | 152 | 3 | 0.2752 | 0.801 | 0.000 | (0;000) | ✔ | 24/04/17 |
ReCl3 | COD | 4343759 | R-3m (166) | ✔ | 24 | 216 | 3 | 0.8 | 0.801 | 0.000 | (0;000) | ✗ | 04/08/17 |
Ga2Te5 | ICSD | 635505 | I4/m (87) | ✔ | 7 | 56 | 3 | 0.7831 | 0.801 | 0.000 | (0;000) | ✗ | 02/02/17 |
FeSe2 | COD | 9012125 | Pnnm (58) | ✔ | 6 | 40 | 3 | 0.2989 | 0.802 | 0.000 | (0;000) | ✗ | 27/01/17 |
SiPtSe | ICSD | 649595 | P2_1ab (29) | ✗ | 12 | 80 | 3 | 0.661 | 0.803 | 0.000 | (0;000) | ✗ | 06/10/16 |
Tc2Pt(NO2)4 | COD | 9007726 | P-1 (2) | ✔ | 15 | 108 | 1 | 0.0 | 0.803 | 1.000 | (0;000) | ✗ | 02/02/17 |
K2Os(Cl2O)2 | COD | 1010629 | I4/mmm (139) | ✔ | 9 | 74 | 1 | 0.7524 | 0.803 | 0.000 | (0;000) | ✗ | 02/02/17 |
InCuO2 | COD | 1521924 | R-3m (166) | ✔ | 4 | 36 | 3 | 0.441 | 0.804 | 0.000 | (0;000) | ✗ | 27/01/17 |
Cs6GaSb3 | ICSD | 300216 | P2_1/m (11) | ✔ | 20 | 164 | 1 | 0.7326 | 0.805 | 0.000 | (0;000) | ✗ | 02/02/17 |
AlF3 | COD | 1010414 | P321 (150) | ✗ | 12 | 72 | 2 | 0.6871 | 0.806 | 0.000 | (0;000) | ✗ | 15/02/17 |
Cs2Ni3Se4 | ICSD | 33891 | Fmmm (69) | ✔ | 9 | 72 | 1 | 0.6 | 0.806 | 0.000 | (0;000) | ✗ | 02/02/17 |
Te4MoBr | ICSD | 82245 | P-1 (2) | ✔ | 12 | 90 | 2 | 0.8068 | 0.807 | 0.000 | (0;000) | ✗ | 02/02/17 |
ZrSO | ICSD | 36111 | P4/nmm (129) | ✔ | 6 | 32 | 3 | 0.8081 | 0.808 | 0.000 | (0;000) | ✗ | 27/01/17 |
Sr3(GaAs2)2 | ICSD | 423785 | C2/c (15) | ✔ | 18 | 152 | 2 | 0.6984 | 0.809 | 0.000 | (0;000) | ✗ | 30/01/17 |
BeSiAs2 | ICSD | 237067 | I-42d (122) | ✗ | 8 | 36 | 3 | 0.8099 | 0.810 | 0.000 | (0;000) | ✗ | 07/10/16 |
Cs2Bi2Pt | ICSD | 658701 | Cmcm (63) | ✔ | 10 | 116 | 3 | 0.6288 | 0.810 | 0.000 | (0;000) | ✗ | 02/02/17 |
ReSe2 | ICSD | 650094 | P-1 (2) | ✔ | 12 | 108 | 2 | 0.683 | 0.811 | 0.000 | (0;000) | ✗ | 02/02/17 |
LiScMo3O8 | ICSD | 28525 | P3m1 (156) | ✗ | 13 | 104 | 3 | 0.8112 | 0.811 | 0.000 | (0;000) | ✗ | 15/02/17 |
SnS | ICSD | 106028 | Pmcn (62) | ✔ | 8 | 80 | 2 | 0.7294 | 0.811 | 0.000 | (0;000) | ✗ | 06/10/16 |
K3Ge4Au | COD | 1510174 | Pmmn (59) | ✔ | 16 | 108 | 1 | 0.709 | 0.813 | 0.000 | (0;000) | ✗ | 02/02/17 |
ReS2 | ICSD | 650077 | P-1 (2) | ✔ | 12 | 108 | 2 | 0.8083 | 0.813 | 0.000 | (0;000) | ✗ | 06/10/16 |
K2PtC2 | ICSD | 421491 | P-3m1 (164) | ✔ | 5 | 36 | 3 | 0.7799 | 0.813 | 0.000 | (0;000) | ✗ | 27/01/17 |
Cd(InTe2)2 | ICSD | 25651 | I-4 (82) | ✗ | 7 | 62 | 3 | 0.8133 | 0.813 | 0.000 | (0;000) | ✗ | 06/10/16 |
ReSe2 | ICSD | 66658 | P-1 (2) | ✔ | 12 | 108 | 2 | 0.6829 | 0.814 | 0.000 | (0;000) | ✗ | 06/10/16 |
CsTaGeS5 | ICSD | 417875 | P-1 (2) | ✔ | 16 | 112 | 1 | 0.7968 | 0.814 | 0.000 | (0;000) | ✗ | 22/03/17 |
RbPt2Se3 | ICSD | 69439 | R-3m (166) | ✔ | 12 | 94 | 2 | 0.8141 | 0.814 | 0.000 | (0;000) | ✗ | 02/02/17 |
Zn(GaTe2)2 | ICSD | 44888 | I-4 (82) | ✗ | 7 | 62 | 3 | 0.8143 | 0.814 | 0.000 | (0;000) | ✗ | 06/10/16 |
AgTe3I | COD | 4027808 | Pmna (53) | ✔ | 20 | 144 | 3 | 0.8152 | 0.815 | 0.000 | (0;000) | ✗ | 30/01/17 |
ZrSnS3 | COD | 2001131 | Pnma (62) | ✔ | 20 | 144 | 2 | 0.8146 | 0.816 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ba4P2O | ICSD | 33906 | Cmce (64) | ✔ | 14 | 112 | 1 | 0.8159 | 0.816 | 0.000 | (0;000) | ✗ | 02/02/17 |
BaZrN2 | ICSD | 74905 | P4/nmm (129) | ✔ | 8 | 48 | 1 | 0.8105 | 0.816 | 0.000 | (0;000) | ✗ | 05/01/17 |
HgO2 | ICSD | 24774 | Pbca (61) | ✔ | 12 | 96 | 3 | 0.3438 | 0.816 | 0.000 | (0;000) | ✗ | 27/01/17 |
NbSeCl3 | COD | 2209086 | P2/c (13) | ✔ | 20 | 160 | 1 | 0.7005 | 0.816 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ag3SI | COD | 1510010 | Pm-3m (221) | ✔ | 5 | 46 | 3 | 0.5828 | 0.818 | 0.000 | (0;000) | ✗ | 30/01/17 |
Cd3TeO6 | ICSD | 35084 | P2_1/c (14) | ✔ | 20 | 156 | 3 | 0.8176 | 0.818 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ca3PN | COD | 1527232 | Pm-3m (221) | ✔ | 5 | 40 | 1 | 0.8179 | 0.818 | 0.000 | (0;000) | ✗ | 27/01/17 |
CuSbS2 | COD | 9009503 | Pnma (62) | ✔ | 16 | 112 | 3 | 0.7769 | 0.819 | 0.000 | (0;000) | ✗ | 02/02/17 |
CuAgS | ICSD | 66582 | Pmc2_1 (26) | ✗ | 12 | 112 | 3 | 0.7416 | 0.819 | 0.000 | (0;000) | ✗ | 06/10/16 |
LiCuO2 | ICSD | 74978 | C2/m (12) | ✔ | 4 | 26 | 2 | 0.4034 | 0.819 | 0.000 | (0;000) | ✗ | 27/01/17 |
Ca2CdAs2 | ICSD | 422579 | Ccm2_1 (36) | ✗ | 10 | 84 | 1 | 0.8205 | 0.821 | 0.000 | (0;000) | ✗ | 06/10/16 |
Ba2GeP2 | ICSD | 35150 | P2_1/c (14) | ✔ | 20 | 136 | 1 | 0.6927 | 0.821 | 0.000 | (0;000) | ✗ | 02/02/17 |
KHfCuS3 | COD | 8101656 | Cmcm (63) | ✔ | 12 | 100 | 1 | 0.8118 | 0.821 | 0.000 | (0;000) | ✗ | 02/02/17 |
ScN | COD | 9008712 | Fm-3m (225) | ✔ | 2 | 16 | 3 | 0.0 | 0.822 | 0.055 | (0;000) | ✗ | 27/01/17 |