▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▴ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
YTlSe2 | ICSD | 652075 | R-3m (166) | ✔ | 4 | 36 | 2 | 1.1254 | 1.777 | 0.000 | (0;000) | ✗ | 27/01/17 |
RbAuO2 | COD | 1510261 | Cmcm (63) | ✔ | 8 | 64 | 2 | 1.3974 | 1.777 | 0.000 | (0;000) | ✗ | 05/01/17 |
TlBr | ICSD | 61519 | Fm-3m (225) | ✔ | 2 | 20 | 3 | 1.7789 | 1.779 | 0.000 | (0;000) | ✗ | 27/01/17 |
Ga2HgS4 | ICSD | 634342 | I-4 (82) | ✗ | 7 | 62 | 3 | 1.7791 | 1.779 | 0.000 | (0;000) | ✗ | 06/10/16 |
RbHSO2 | ICSD | 425888 | C2/m (12) | ✔ | 20 | 112 | 1 | 1.7316 | 1.779 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ba2P7Br | ICSD | 426194 | P2_1/m (11) | ✔ | 20 | 124 | 1 | 1.4878 | 1.780 | 0.000 | (0;000) | ✗ | 02/02/17 |
KS | ICSD | 73171 | P-62m (189) | ✗ | 12 | 90 | 1 | 1.4274 | 1.780 | 0.000 | (0;000) | ✗ | 29/03/17 |
Rb6Cl4O | ICSD | 405193 | R-3c (167) | ✔ | 22 | 176 | 1 | 1.7803 | 1.780 | 0.000 | (0;000) | ✗ | 04/08/17 |
TaTl3Se4 | ICSD | 52431 | I-43m (217) | ✗ | 8 | 76 | 3 | 1.6512 | 1.781 | 0.000 | (0;000) | ✗ | 06/10/16 |
Ag2TeO3 | COD | 1509697 | P2_1/c (14) | ✔ | 24 | 184 | 3 | 1.6765 | 1.781 | 0.000 | (0;000) | ✗ | 04/08/17 |
NaNbO3 | COD | 2002944 | P4/mbm (127) | ✔ | 10 | 80 | 3 | 1.6578 | 1.782 | 0.000 | (0;000) | ✗ | 27/01/17 |
TaTl3Se4 | ICSD | 600250 | I-43m (217) | ✗ | 8 | 76 | 3 | 1.6479 | 1.783 | 0.000 | (0;000) | ✗ | 06/10/16 |
RbTcO4 | COD | 1501468 | I4_1/a (88) | ✔ | 12 | 96 | 1 | 1.7831 | 1.783 | 0.000 | (0;000) | ✗ | 29/03/17 |
GaAgO2 | COD | 1509345 | P6_3/mmc (194) | ✔ | 8 | 72 | 3 | 0.6743 | 1.783 | 0.000 | (0;000) | ✗ | 05/01/17 |
K2SiP2 | ICSD | 36367 | Ibam (72) | ✔ | 10 | 64 | 1 | 1.2106 | 1.784 | 0.000 | (0;000) | ✗ | 02/02/17 |
VAg2PO6 | ICSD | 73580 | C2/m (12) | ✔ | 20 | 152 | 3 | 1.6895 | 1.784 | 0.000 | (0;000) | ✗ | 30/01/17 |
Li3AuS2 | COD | 4319430 | Ibam (72) | ✔ | 12 | 64 | 1 | 1.7845 | 1.785 | 0.000 | (0;000) | ✗ | 02/02/17 |
Sr(Li2P)2 | ICSD | 416888 | R-3m (166) | ✔ | 7 | 32 | 1 | 0.9815 | 1.785 | 0.000 | (0;000) | ✗ | 27/01/17 |
SbSBr | COD | 1521208 | Pnma (62) | ✔ | 12 | 72 | 1 | 1.6118 | 1.785 | 0.000 | (0;000) | ✗ | 02/02/17 |
Cs2Sn2Hg3S8 | ICSD | 85598 | P-1 (2) | ✔ | 15 | 130 | 1 | 1.743 | 1.786 | 0.000 | (0;000) | ✗ | 02/02/17 |
AlTeI7 | ICSD | 401395 | Pc (7) | ✗ | 18 | 116 | 1 | 1.6408 | 1.786 | 0.000 | (0;000) | ✗ | 16/03/17 |
TaTl3Se4 | ICSD | 651969 | I-43m (217) | ✗ | 8 | 76 | 3 | 1.6427 | 1.786 | 0.000 | (0;000) | ✗ | 06/10/16 |
Ba2NaIO6 | ICSD | 425446 | Fm-3m (225) | ✔ | 10 | 72 | 1 | 1.7866 | 1.787 | 0.000 | (0;000) | ✗ | 21/03/17 |
TeAuCl7 | COD | 7209382 | P-1 (2) | ✔ | 18 | 132 | 1 | 1.6215 | 1.787 | 0.000 | (0;000) | ✗ | 30/01/17 |
GeSe2 | ICSD | 50761 | I-42d (122) | ✗ | 6 | 32 | 3 | 1.4346 | 1.788 | 0.000 | (0;000) | ✗ | 06/10/16 |
K2Ag2GeS4 | ICSD | 170843 | Fddd (70) | ✔ | 18 | 136 | 3 | 1.788 | 1.788 | 0.000 | (0;000) | ✗ | 30/01/17 |
TlF | ICSD | 30268 | Fmmm (69) | ✔ | 2 | 20 | 1 | 1.7905 | 1.791 | 0.000 | (0;000) | ✗ | 06/10/16 |
NbCu3Se4 | ICSD | 628485 | P-43m (215) | ✗ | 8 | 70 | 3 | 1.3518 | 1.791 | 0.000 | (0;000) | ✗ | 06/10/16 |
GaP | ICSD | 103795 | F-43m (216) | ✗ | 2 | 18 | 3 | 1.5678 | 1.791 | 0.000 | (0;000) | ✗ | 06/10/16 |
SbSBr | ICSD | 88587 | P2_1nb (33) | ✗ | 12 | 72 | 1 | 1.6228 | 1.792 | 0.000 | (0;000) | ✗ | 06/10/16 |
ZrNCl | COD | 1521250 | R-3m (166) | ✔ | 6 | 32 | 2 | 1.1497 | 1.792 | 0.000 | (0;000) | ✗ | 27/01/17 |
K2PtS2 | ICSD | 26258 | Immm (71) | ✔ | 5 | 40 | 1 | 1.2612 | 1.793 | 0.000 | (0;000) | ✗ | 27/01/17 |
K2NbCuSe4 | ICSD | 73324 | Fddd (70) | ✔ | 16 | 132 | 1 | 1.6201 | 1.793 | 0.000 | (0;000) | ✗ | 02/02/17 |
CsCuS4 | ICSD | 402075 | P2_12_12_1 (19) | ✗ | 24 | 176 | 1 | 1.7745 | 1.793 | 0.000 | (0;000) | ✗ | 04/08/17 |
AgBr | COD | 9011692 | P2_1/m (11) | ✔ | 4 | 36 | 3 | 0.178 | 1.794 | 0.000 | (0;000) | ✗ | 05/01/17 |
HCI3 | COD | 5900001 | P6_3 (173) | ✗ | 10 | 52 | 1 | 1.6658 | 1.794 | 0.000 | (0;000) | ✗ | 22/03/17 |
SrMg2N2 | ICSD | 410826 | P-3m1 (164) | ✔ | 5 | 40 | 2 | 1.7942 | 1.794 | 0.000 | (0;000) | ✗ | 27/01/17 |
NbCu3Se4 | ICSD | 628478 | P-43m (215) | ✗ | 8 | 70 | 3 | 1.3533 | 1.794 | 0.000 | (0;000) | ✗ | 06/10/16 |
KSb(PSe3)2 | ICSD | 90152 | P2_1 (4) | ✗ | 20 | 120 | 3 | 1.769 | 1.795 | 0.000 | (0;000) | ✗ | 29/03/17 |
Al2Zn3O6 | COD | 3000024 | Pm (6) | ✗ | 11 | 78 | 3 | 1.7357 | 1.795 | 0.000 | (0;000) | ✗ | 15/02/17 |
KAg2PS4 | ICSD | 420033 | I-42m (121) | ✗ | 8 | 60 | 3 | 1.0995 | 1.796 | 0.000 | (0;000) | ✗ | 16/03/17 |
Li10BrN3 | ICSD | 78819 | P-6m2 (187) | ✗ | 14 | 52 | 1 | 1.4385 | 1.798 | 0.000 | (0;000) | ✗ | 15/02/17 |
NbCu3Se4 | ICSD | 628479 | P-43m (215) | ✗ | 8 | 70 | 3 | 1.355 | 1.798 | 0.000 | (0;000) | ✗ | 06/10/16 |
Na2GeSe3 | ICSD | 49003 | P2_1/c (14) | ✔ | 24 | 160 | 1 | 1.7979 | 1.798 | 0.000 | (0;000) | ✗ | 04/08/17 |
Rb3Sb2Br9 | ICSD | 39823 | P-3m1 (164) | ✔ | 14 | 100 | 2 | 1.5771 | 1.799 | 0.000 | (0;000) | ✗ | 02/02/17 |
K6MgO4 | ICSD | 2340 | P6_3mc (186) | ✗ | 22 | 176 | 2 | 1.7997 | 1.800 | 0.000 | (0;000) | ✗ | 07/08/17 |
KNaTe | ICSD | 67276 | Pnma (62) | ✔ | 12 | 96 | 1 | 1.7998 | 1.800 | 0.000 | (0;000) | ✗ | 02/02/17 |
HfI4 | ICSD | 200826 | C2/c (15) | ✔ | 20 | 160 | 2 | 1.8004 | 1.800 | 0.000 | (0;000) | ✗ | 02/02/17 |
Na2Te | COD | 9009066 | Fm-3m (225) | ✔ | 3 | 24 | 1 | 1.802 | 1.802 | 0.000 | (0;000) | ✗ | 27/01/17 |
HfIN | ICSD | 190384 | R-3m (166) | ✔ | 6 | 48 | 2 | 0.6678 | 1.802 | 0.000 | (0;000) | ✗ | 29/03/17 |
GeI2 | COD | 9009105 | P-3m1 (164) | ✔ | 3 | 18 | 2 | 1.7731 | 1.802 | 0.000 | (0;000) | ✗ | 22/03/17 |
NbCu3Se4 | ICSD | 73956 | P-43m (215) | ✗ | 8 | 70 | 3 | 1.3569 | 1.802 | 0.000 | (0;000) | ✗ | 06/10/16 |
Rb2SnSe3 | ICSD | 74844 | P-1 (2) | ✔ | 12 | 100 | 1 | 1.8024 | 1.802 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ca3PCl3 | COD | 1530047 | Pm-3m (221) | ✔ | 7 | 56 | 1 | 1.8056 | 1.806 | 0.000 | (0;000) | ✗ | 27/01/17 |
Cs3TaO8 | ICSD | 30408 | I-42m (121) | ✗ | 12 | 88 | 1 | 1.7678 | 1.807 | 0.000 | (0;000) | ✗ | 22/03/17 |
CsAuO | COD | 1510102 | I4/mmm (139) | ✔ | 12 | 104 | 2 | 1.8084 | 1.808 | 0.000 | (0;000) | ✗ | 02/02/17 |
LiAlTe2 | ICSD | 162672 | I-42d (122) | ✗ | 8 | 36 | 3 | 1.7823 | 1.809 | 0.000 | (0;000) | ✗ | 07/10/16 |
CuCl | COD | 9013928 | Fm-3m (225) | ✔ | 2 | 18 | 3 | 0.5958 | 1.809 | 0.000 | (0;000) | ✗ | 27/01/17 |
LiInO2 | ICSD | 639886 | I4_1/amd (141) | ✔ | 8 | 56 | 3 | 1.4431 | 1.809 | 0.000 | (0;000) | ✗ | 27/01/17 |
KAlTe2 | ICSD | 44703 | I4/mcm (140) | ✔ | 8 | 48 | 1 | 1.5093 | 1.811 | 0.000 | (0;000) | ✗ | 30/01/17 |
AgCl | COD | 9011680 | Cmcm (63) | ✔ | 4 | 36 | 3 | 0.6339 | 1.812 | 0.000 | (0;000) | ✗ | 05/01/17 |
Cs2GeSe4 | ICSD | 74832 | C2/m (12) | ✔ | 14 | 92 | 1 | 1.7325 | 1.812 | 0.000 | (0;000) | ✗ | 02/02/17 |
BiPbClO2 | COD | 9012425 | Cmcm (63) | ✔ | 10 | 96 | 2 | 1.7889 | 1.813 | 0.000 | (0;000) | ✗ | 05/01/17 |
NClOF4 | ICSD | 50216 | I4cm (108) | ✗ | 14 | 92 | 1 | 1.8133 | 1.813 | 0.000 | (0;000) | ✗ | 15/02/17 |
BaCdS2 | ICSD | 66655 | Pnma (62) | ✔ | 16 | 136 | 3 | 1.8142 | 1.814 | 0.000 | (0;000) | ✗ | 02/02/17 |
Sr2PbO4 | COD | 1528937 | Pbam (55) | ✔ | 14 | 116 | 1 | 1.6272 | 1.816 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ba2PdF6 | COD | 1521027 | Cmce (64) | ✔ | 18 | 160 | 1 | 1.8177 | 1.818 | 0.000 | (0;000) | ✗ | 02/02/17 |
VPO5 | ICSD | 415924 | Cc (9) | ✗ | 14 | 96 | 3 | 1.782 | 1.818 | 0.000 | (0;000) | ✗ | 15/02/17 |
MoNCl3 | COD | 1528097 | P-1 (2) | ✔ | 20 | 160 | 2 | 1.7625 | 1.819 | 0.000 | (0;000) | ✗ | 02/02/17 |
K2GeSe3 | ICSD | 300233 | P-1 (2) | ✔ | 12 | 80 | 1 | 1.7432 | 1.819 | 0.000 | (0;000) | ✗ | 02/02/17 |
KBi(PS3)2 | COD | 8100356 | P2_1 (4) | ✗ | 20 | 140 | 2 | 1.6544 | 1.819 | 0.000 | (0;000) | ✗ | 21/03/17 |
TlAuCl4 | COD | 2018865 | C2/c (15) | ✔ | 12 | 104 | 1 | 1.7994 | 1.820 | 0.000 | (0;000) | ✗ | 30/01/17 |
CsI2Br | ICSD | 23120 | Pnma (62) | ✔ | 16 | 120 | 1 | 1.8017 | 1.820 | 0.000 | (0;000) | ✗ | 02/02/17 |
NaHO | ICSD | 26833 | P2_1/m (11) | ✔ | 6 | 32 | 1 | 1.8213 | 1.821 | 0.000 | (0;000) | ✗ | 27/01/17 |
Rb2PtS2 | ICSD | 26259 | Immm (71) | ✔ | 5 | 40 | 1 | 1.3041 | 1.824 | 0.000 | (0;000) | ✗ | 27/01/17 |
Cu2WS4 | COD | 7117863 | I-42m (121) | ✗ | 7 | 74 | 2 | 1.2294 | 1.826 | 0.000 | (0;000) | ✗ | 11/04/17 |
Sr(CuO)2 | ICSD | 25002 | I4_1/amd (141) | ✔ | 10 | 88 | 3 | 1.8259 | 1.826 | 0.000 | (0;000) | ✗ | 27/01/17 |
V2O5 | COD | 2102583 | P2_1/m (11) | ✔ | 14 | 112 | 2 | 1.6128 | 1.826 | 0.000 | (0;000) | ✗ | 27/01/17 |
SbI3 | ICSD | 26082 | R-3 (148) | ✔ | 8 | 52 | 2 | 1.7182 | 1.827 | 0.000 | (0;000) | ✗ | 02/02/17 |
Na2TeC2 | COD | 7220793 | I4/mmm (139) | ✔ | 5 | 32 | 1 | 1.5257 | 1.827 | 0.000 | (0;000) | ✗ | 27/01/17 |
KH2I3O | ICSD | 26338 | Pc (7) | ✗ | 14 | 76 | 1 | 1.7843 | 1.828 | 0.000 | (0;000) | ✗ | 28/03/17 |
TaTeBr9 | ICSD | 410949 | P2_1/m (11) | ✔ | 22 | 164 | 1 | 1.7715 | 1.828 | 0.000 | (0;000) | ✗ | 04/08/17 |
TlBr | ICSD | 109144 | Cmcm (63) | ✔ | 4 | 40 | 2 | 1.8054 | 1.828 | 0.000 | (0;000) | ✗ | 27/01/17 |
RbAuC2 | ICSD | 411252 | P4/mmm (123) | ✔ | 4 | 28 | 1 | 1.7472 | 1.828 | 0.000 | (0;000) | ✗ | 27/01/17 |
As(BrF2)3 | ICSD | 33811 | P-1 (2) | ✔ | 20 | 136 | 1 | 1.7771 | 1.828 | 0.000 | (0;000) | ✗ | 30/01/17 |
B | COD | 1512492 | R-3m (166) | ✔ | 12 | 36 | 3 | 1.4362 | 1.829 | 0.000 | (0;000) | ✗ | 27/01/17 |
TlIn3S5 | ICSD | 402124 | C2/m (12) | ✔ | 18 | 164 | 3 | 1.729 | 1.829 | 0.000 | (0;000) | ✗ | 29/03/17 |
KLi3PbO4 | ICSD | 37084 | P-1 (2) | ✔ | 18 | 112 | 2 | 1.829 | 1.830 | 0.000 | (0;000) | ✗ | 02/02/17 |
AgN3 | COD | 4307489 | P2_1/c (14) | ✔ | 16 | 104 | 3 | 1.6308 | 1.831 | 0.000 | (0;000) | ✗ | 30/01/17 |
SnPS3 | ICSD | 72835 | P2_1/c (14) | ✔ | 20 | 148 | 3 | 1.6984 | 1.832 | 0.000 | (0;000) | ✗ | 02/02/17 |
Tl3VS4 | ICSD | 200270 | I-43m (217) | ✗ | 8 | 76 | 3 | 1.8328 | 1.833 | 0.000 | (0;000) | ✗ | 06/10/16 |
Tl2TeBr6 | ICSD | 99127 | P4/mnc (128) | ✔ | 18 | 148 | 1 | 1.6322 | 1.833 | 0.000 | (0;000) | ✗ | 02/02/17 |
Hg2AsCl2 | ICSD | 39930 | C2/m (12) | ✔ | 20 | 172 | 3 | 1.4642 | 1.834 | 0.000 | (0;000) | ✗ | 21/03/17 |
Sr2NCl | COD | 1528370 | R-3m (166) | ✔ | 4 | 32 | 1 | 1.8349 | 1.835 | 0.000 | (0;000) | ✗ | 27/01/17 |
BaSnS2 | ICSD | 2587 | P2_1/c (14) | ✔ | 16 | 144 | 1 | 1.7505 | 1.836 | 0.000 | (0;000) | ✗ | 02/02/17 |
Si2Hg6O7 | COD | 9001301 | C2/m (12) | ✔ | 15 | 122 | 3 | 1.5831 | 1.837 | 0.000 | (0;000) | ✗ | 02/02/17 |
YCuS2 | COD | 1526830 | Pnma (62) | ✔ | 16 | 136 | 3 | 1.7825 | 1.837 | 0.000 | (0;000) | ✗ | 02/02/17 |
SiS2 | COD | 9016349 | P4_12_12 (92) | ✗ | 12 | 64 | 3 | 1.268 | 1.837 | 0.000 | (0;000) | ✗ | 29/03/17 |
Cs2HgI4 | COD | 1526210 | P2_1 (4) | ✗ | 14 | 116 | 1 | 1.8375 | 1.838 | 0.000 | (0;000) | ✗ | 22/03/17 |
Rb2Te | ICSD | 55158 | P6_3/mmc (194) | ✔ | 6 | 48 | 2 | 1.8381 | 1.838 | 0.000 | (0;000) | ✗ | 02/02/17 |