▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▴ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Hg(C2F3)2 | ICSD | 165635 | P-1 (2) | ✔ | 11 | 70 | 1 | 3.4881 | 3.797 | 0.000 | (0;000) | ✗ | 27/01/17 |
ZnPS3 | ICSD | 648084 | C2/m (12) | ✔ | 10 | 70 | 2 | 1.9444 | 2.418 | 0.000 | (0;000) | ✗ | 27/01/17 |
CaPdF6 | ICSD | 26164 | R-3 (148) | ✔ | 8 | 70 | 1 | 2.28 | 2.280 | 0.000 | (0;000) | ✗ | 27/01/17 |
Ba3N | ICSD | 77730 | P6_3/mcm (193) | ✔ | 8 | 70 | 1 | 0.0 | 0.000 | 0.810 | (0;000) | ✗ | 02/02/17 |
CrCl3 | ICSD | 22080 | C2/m (12) | ✔ | 8 | 70 | 2 | 0.0 | 0.028 | 0.272 | (0;000) | ✗ | 27/01/17 |
AlCr2C | ICSD | 42918 | P6_3/mmc (194) | ✔ | 8 | 70 | 3 | 0.0 | 0.000 | 0.937 | (1;000) | ✗ | 27/01/17 |
Nb2PC | ICSD | 43009 | P6_3/mmc (194) | ✔ | 8 | 70 | 3 | 0.0 | 0.000 | 0.780 | (1;000) | ✗ | 27/01/17 |
ScSiPt2 | ICSD | 420355 | Cmcm (63) | ✔ | 8 | 70 | 3 | 0.0 | 0.000 | 0.931 | (0;110) | ✗ | 27/01/17 |
Ni3(PbSe)2 | ICSD | 646211 | R-3m (166) | ✔ | 7 | 70 | 3 | 0.0 | 0.026 | 0.256 | (0;111) | ✗ | 27/01/17 |
Ni3(PbS)2 | COD | 9000048 | R-3m (166) | ✔ | 7 | 70 | 3 | 0.0 | 0.050 | 0.277 | (0;111) | ✗ | 27/01/17 |
TiGaPt | ICSD | 156263 | P6_3/mmc (194) | ✔ | 6 | 70 | 3 | 0.0 | 0.000 | 0.920 | (0;000) | ✗ | 27/01/17 |
CrMoF6 | ICSD | 50507 | P-1 (2) | ✔ | 8 | 70 | 3 | 0.0 | 0.034 | 0.023 | (0;000) | ✗ | 27/01/17 |
CrF3 | COD | 2102656 | R-3c (167) | ✔ | 8 | 70 | 3 | 0.0 | 0.000 | 0.416 | (0;000) | ✗ | 27/01/17 |
KCrO2 | ICSD | 425293 | P6_3/mmc (194) | ✔ | 8 | 70 | 2 | 0.0 | 0.000 | 0.918 | (0;000) | ✗ | 27/01/17 |
Nb2AsC | ICSD | 43011 | P6_3/mmc (194) | ✔ | 8 | 70 | 3 | 0.0 | 0.000 | 0.779 | (0;001) | ✗ | 27/01/17 |
V2AsC | ICSD | 43874 | P6_3/mmc (194) | ✔ | 8 | 70 | 3 | 0.0 | 0.000 | 0.646 | (1;000) | ✗ | 27/01/17 |
CaZn5 | ICSD | 418614 | P6/mmm (191) | ✔ | 6 | 70 | 3 | 0.0 | 0.000 | 0.680 | (1;000) | ✗ | 27/01/17 |
MnP4 | COD | 1524612 | P-1 (2) | ✔ | 10 | 70 | 3 | 0.4031 | 0.499 | 0.000 | (0;000) | ✗ | 27/01/17 |
SbPt3 | ICSD | 649557 | I4/mmm (139) | ✔ | 8 | 70 | 3 | 0.0 | 0.007 | 0.303 | (0;111) | ✗ | 27/01/17 |
K3Sb2Au3 | COD | 1510504 | R-3m (166) | ✔ | 8 | 70 | 2 | 0.7493 | 0.749 | 0.000 | (0;000) | ✗ | 30/01/17 |
Rb3Sb2Au3 | COD | 1510512 | R-3m (166) | ✔ | 8 | 70 | 2 | 1.0302 | 1.161 | 0.000 | (0;000) | ✗ | 30/01/17 |
Ba2NaO | ICSD | 411905 | Cmme (67) | ✔ | 8 | 70 | 1 | 0.0 | 0.000 | 0.537 | (0;001) | ✗ | 02/02/17 |
BaMnSb2 | COD | 7221197 | I4/mmm (139) | ✔ | 8 | 70 | 1 | 0.0 | 0.000 | 0.856 | (0;000) | ✗ | 02/02/17 |
MoCl3 | COD | 5910110 | C2/m (12) | ✔ | 8 | 70 | 2 | 0.0 | 0.038 | 0.023 | (0;000) | ✗ | 27/01/17 |
Ni3Sb | ICSD | 646432 | Pmmn (59) | ✔ | 8 | 70 | 3 | 0.0 | 0.000 | 0.898 | (0;010) | ✗ | 27/01/17 |
Ni3(SnS)2 | COD | 1524229 | R-3m (166) | ✔ | 7 | 70 | 3 | 0.0 | 0.021 | 0.392 | (0;111) | ✗ | 27/01/17 |
CdPS3 | ICSD | 620232 | C2/m (12) | ✔ | 10 | 70 | 2 | 1.6575 | 1.969 | 0.000 | (0;000) | ✗ | 02/02/17 |
HgPS3 | ICSD | 2564 | P-1 (2) | ✔ | 10 | 70 | 2 | 1.7638 | 1.890 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ni3N | ICSD | 152813 | P6_322 (182) | ✗ | 8 | 70 | 3 | 0.0 | 0.001 | 0.781 | ? | ✗ | 15/02/17 |
Rb2PtCl6 | COD | 1010237 | Fm-3m (225) | ✔ | 9 | 70 | 1 | 1.7119 | 1.712 | 0.000 | (0;000) | ✗ | 02/02/17 |
H5(CO)3 | COD | 2008148 | C2 (5) | ✗ | 22 | 70 | 1 | 4.3743 | 4.379 | 0.000 | (0;000) | ✗ | 04/08/17 |
Sr2LiGe3 | ICSD | 414574 | Fmmm (69) | ✔ | 12 | 70 | 1 | 0.0 | 0.008 | 0.514 | (0;110) | ✗ | 02/02/17 |
SrMnSb2 | ICSD | 643539 | Pmmn (59) | ✔ | 8 | 70 | 1 | 0.0 | 0.000 | 0.963 | (1;000) | ✗ | 02/02/17 |
MgPHO9 | COD | 9007436 | R3 (146) | ✗ | 12 | 70 | 1 | 0.0 | 0.009 | 0.216 | (0;000) | ✔ | 29/03/17 |
K2PtCl6 | COD | 2105522 | Fm-3m (225) | ✔ | 9 | 70 | 1 | 1.611 | 1.611 | 0.000 | (0;000) | ✗ | 02/02/17 |
MgSO9 | COD | 9015164 | R3 (146) | ✗ | 11 | 70 | 1 | 0.0 | 0.003 | 0.521 | ? | ✗ | 29/03/17 |
CaMnSb2 | ICSD | 52705 | Pmmn (59) | ✔ | 8 | 70 | 1 | 0.0 | 0.000 | 0.954 | (0;001) | ✗ | 02/02/17 |
Li7TaO6 | ICSD | 74950 | R3 (146) | ✗ | 14 | 70 | 2 | 4.6455 | 4.809 | 0.000 | (0;000) | ✗ | 15/02/17 |
K2PtBr6 | COD | 5910135 | Fm-3m (225) | ✔ | 9 | 70 | 1 | 1.0213 | 1.115 | 0.000 | (0;000) | ✗ | 02/02/17 |
H10C9O4 | COD | 2229064 | P1 (1) | ✗ | 23 | 70 | 1 | 3.3437 | 3.523 | 0.000 | (0;000) | ✗ | 04/08/17 |
BaYFeCuO5 | ICSD | 71355 | P4mm (99) | ✗ | 9 | 70 | 3 | 0.0 | 0.001 | 0.784 | ? | ✗ | 15/02/17 |
Li3Ni2SbO6 | ICSD | 183999 | C2/m (12) | ✔ | 12 | 70 | 2 | 0.0 | 0.005 | 0.390 | (0;000) | ✗ | 29/03/17 |
BaAg2SnS4 | ICSD | 41898 | I222 (23) | ✗ | 8 | 70 | 3 | 0.3815 | 1.163 | 0.000 | (0;000) | ✔ | 16/03/17 |
SrSn3Pd | COD | 1523463 | I4mm (107) | ✗ | 5 | 70 | 3 | 0.0 | 0.015 | 0.376 | (0;001) | ✔ | 29/03/17 |
Fe(BW)2 | ICSD | 614261 | Immm (71) | ✔ | 5 | 70 | 3 | 0.0 | 0.045 | 0.291 | (1;000) | ✗ | 11/04/17 |
Cs2PtCl6 | COD | 1010238 | Fm-3m (225) | ✔ | 9 | 70 | 1 | 1.745 | 1.745 | 0.000 | (0;000) | ✗ | 02/02/17 |
InSiTe3 | ICSD | 66356 | P-31m (162) | ✔ | 10 | 70 | 2 | 0.2799 | 0.602 | 0.000 | (0;000) | ✗ | 02/02/17 |
MoBr3 | COD | 1525597 | Cmcm (63) | ✔ | 8 | 70 | 1 | 0.0 | 0.000 | 0.463 | (0;110) | ✗ | 02/02/17 |
Zr2CuGe4 | ICSD | 84200 | Cmcm (63) | ✔ | 14 | 70 | 3 | 0.0 | 0.000 | 0.774 | (0;110) | ✗ | 02/02/17 |
VAg(PSe3)2 | ICSD | 68143 | C2 (5) | ✗ | 10 | 70 | 2 | 0.0 | 0.007 | 0.288 | (1;100) | ✔ | 16/03/17 |
H5C5N2 | COD | 2203306 | P-1 (2) | ✔ | 24 | 70 | 1 | 2.377 | 2.436 | 0.000 | (0;000) | ✗ | 04/08/17 |
Cs2PtBr6 | ICSD | 77381 | Fm-3m (225) | ✔ | 9 | 70 | 1 | 0.9269 | 0.961 | 0.000 | (0;000) | ✗ | 02/02/17 |
Cs2PtI6 | COD | 1530777 | Fm-3m (225) | ✔ | 9 | 70 | 1 | 0.4118 | 0.595 | 0.000 | (0;000) | ✗ | 02/02/17 |
Zr5Sb3 | ICSD | 153607 | P6_3/mcm (193) | ✔ | 16 | 70 | 3 | 0.0 | 0.000 | 0.615 | (1;000) | ✗ | 02/02/17 |
Rb2PtI6 | ICSD | 37191 | Fm-3m (225) | ✔ | 9 | 70 | 1 | 0.2675 | 0.453 | 0.000 | (0;000) | ✗ | 02/02/17 |
BaAg2SnSe4 | COD | 4000566 | I222 (23) | ✗ | 8 | 70 | 3 | 0.0 | 0.526 | 0.035 | (0;000) | ✔ | 16/03/17 |
CaSnAu | COD | 2019618 | Imm2 (44) | ✗ | 6 | 70 | 3 | 0.0 | 0.035 | 0.553 | ? | ✗ | 15/02/17 |
CdPSe3 | ICSD | 620234 | R-3 (148) | ✔ | 10 | 70 | 2 | 1.1098 | 1.259 | 0.000 | (0;000) | ✗ | 02/02/17 |
Sr2Bi | COD | 9008355 | I4/mmm (139) | ✔ | 6 | 70 | 1 | 0.0 | 0.033 | 0.051 | (0;111) | ✗ | 02/02/17 |
CsCa(NO2)3 | ICSD | 56433 | R3 (146) | ✗ | 11 | 70 | 1 | 2.7053 | 2.770 | 0.000 | (0;000) | ✗ | 15/02/17 |
H8Pt(NCl3)2 | ICSD | 97927 | Fm-3m (225) | ✔ | 17 | 70 | 1 | 1.6827 | 1.683 | 0.000 | (0;000) | ✗ | 02/02/17 |
Zr2Si4Cu | ICSD | 629240 | Cmcm (63) | ✔ | 14 | 70 | 3 | 0.0 | 0.000 | 0.849 | (0;110) | ✗ | 02/02/17 |
SiPt2 | ICSD | 649614 | P-62m (189) | ✗ | 9 | 72 | 3 | 0.0 | 0.000 | 0.290 | (1;000) | ✔ | 26/04/17 |
GaCuTe2 | ICSD | 74456 | I-42d (122) | ✗ | 8 | 72 | 3 | 0.396 | 0.396 | 0.000 | (0;000) | ✔ | 22/03/17 |
Na(GeP)3 | COD | 7017702 | Pmc2_1 (26) | ✗ | 14 | 72 | 2 | 1.1803 | 1.490 | 0.000 | (0;000) | ✗ | 22/03/17 |
NaZn4As3 | COD | 4326072 | R-3m (166) | ✔ | 8 | 72 | 2 | 0.0 | 0.004 | 0.004 | (1;000) | ✗ | 21/03/17 |
H2CO2 | ICSD | 151248 | Pna2_1 (33) | ✗ | 20 | 72 | 1 | 4.7471 | 4.747 | 0.000 | (0;000) | ✗ | 15/02/17 |
KCd4P3 | COD | 4326069 | R-3m (166) | ✔ | 8 | 72 | 2 | 0.0 | 0.000 | 0.019 | (1;000) | ✗ | 22/03/17 |
CdSbS2Br | ICSD | 171723 | C2/m (12) | ✔ | 10 | 72 | 3 | 1.4947 | 1.517 | 0.000 | (0;000) | ✗ | 02/02/17 |
NaScAs2O7 | ICSD | 161501 | C2 (5) | ✗ | 11 | 72 | 3 | 4.1616 | 4.227 | 0.000 | (0;000) | ✗ | 15/02/17 |
Ca(BH)2 | ICSD | 163473 | Pnma (62) | ✔ | 20 | 72 | 2 | 0.0 | 0.007 | 0.740 | (1;000) | ✗ | 04/08/17 |
H5C4N3 | COD | 2015716 | P2_1 (4) | ✗ | 24 | 72 | 1 | 4.7935 | 4.813 | 0.000 | (0;000) | ✗ | 04/08/17 |
CrSi | COD | 1010034 | P2_13 (198) | ✗ | 8 | 72 | 3 | 0.0 | 0.000 | 0.683 | ? | ✗ | 15/02/17 |
NClO | ICSD | 411511 | Pnma (62) | ✔ | 12 | 72 | 1 | 2.1735 | 2.232 | 0.000 | (0;000) | ✗ | 04/08/17 |
SbSI | ICSD | 28305 | Pnma (62) | ✔ | 12 | 72 | 1 | 1.329 | 1.450 | 0.000 | (0;000) | ✗ | 02/02/17 |
KCd4As3 | COD | 4326068 | R-3m (166) | ✔ | 8 | 72 | 2 | 0.0 | 0.080 | 0.031 | (0;111) | ✗ | 21/03/17 |
Cs2TiCl6 | COD | 1010219 | Fm-3m (225) | ✔ | 9 | 72 | 1 | 2.2724 | 2.314 | 0.000 | (0;000) | ✗ | 02/02/17 |
NaCd4As3 | COD | 4326071 | R-3m (166) | ✔ | 8 | 72 | 2 | 0.0 | 0.060 | 0.092 | (0;111) | ✗ | 21/03/17 |
Cs2Pt3Se4 | ICSD | 33893 | Fmmm (69) | ✔ | 9 | 72 | 1 | 1.2542 | 1.348 | 0.000 | (0;000) | ✗ | 02/02/17 |
ZnCu2SnSe4 | ICSD | 426288 | I-42m (121) | ✗ | 8 | 72 | 3 | 0.0 | 0.020 | 0.004 | (1;000) | ✔ | 15/02/17 |
BaCl2 | ICSD | 2190 | P-62m (189) | ✗ | 9 | 72 | 1 | 4.5187 | 4.519 | 0.000 | (0;000) | ✗ | 21/03/17 |
RbCd4As3 | COD | 4326073 | R-3m (166) | ✔ | 8 | 72 | 2 | 0.0 | 0.088 | 0.015 | (0;111) | ✗ | 21/03/17 |
CdCu2SnTe4 | ICSD | 656157 | I-42m (121) | ✗ | 8 | 72 | 3 | 0.0068 | 0.021 | 0.000 | (1;000) | ✔ | 22/03/17 |
Zr3O | ICSD | 23402 | R32 (155) | ✗ | 16 | 72 | 3 | 0.0 | 0.000 | 0.299 | (0;111) | ✔ | 11/04/17 |
LiCaSb | ICSD | 52775 | Pnma (62) | ✔ | 12 | 72 | 1 | 0.2069 | 0.231 | 0.000 | (0;000) | ✗ | 02/02/17 |
CrSiTe3 | ICSD | 626810 | R-3 (148) | ✔ | 10 | 72 | 2 | 0.0 | 0.030 | 0.030 | (1;111) | ✗ | 02/02/17 |
BaSi2 | ICSD | 2218 | P4_332 (212) | ✗ | 12 | 72 | 3 | 0.0 | 0.008 | 0.016 | (0;000) | ✔ | 13/04/17 |
LiCSN | ICSD | 425061 | Pnma (62) | ✔ | 16 | 72 | 1 | 3.7343 | 4.049 | 0.000 | (0;000) | ✗ | 02/02/17 |
CsLi2(HO)3 | ICSD | 65150 | P2_1/m (11) | ✔ | 18 | 72 | 1 | 4.6702 | 4.670 | 0.000 | (0;000) | ✗ | 02/02/17 |
Cs2HfI6 | COD | 1530776 | Fm-3m (225) | ✔ | 9 | 72 | 1 | 1.9255 | 1.926 | 0.000 | (0;000) | ✗ | 02/02/17 |
ZnCu2SnS4 | ICSD | 628893 | I-42m (121) | ✗ | 8 | 72 | 3 | 0.1464 | 0.146 | 0.000 | (0;000) | ✔ | 15/02/17 |
LiH2ClO | COD | 2201759 | Cmcm (63) | ✔ | 20 | 72 | 1 | 5.5527 | 5.579 | 0.000 | (0;000) | ✗ | 02/02/17 |
GePt2 | ICSD | 637640 | P-62m (189) | ✗ | 9 | 72 | 3 | 0.0 | 0.000 | 0.334 | (0;000) | ✔ | 11/04/17 |
Cs2Ni3Se4 | ICSD | 33891 | Fmmm (69) | ✔ | 9 | 72 | 1 | 0.6 | 0.806 | 0.000 | (0;000) | ✗ | 02/02/17 |
LiH2BrO | ICSD | 391154 | Cmcm (63) | ✔ | 20 | 72 | 1 | 4.4428 | 4.473 | 0.000 | (0;000) | ✗ | 02/02/17 |
H5C4N3 | COD | 2207775 | C2/c (15) | ✔ | 24 | 72 | 1 | 2.9527 | 2.971 | 0.000 | (0;000) | ✗ | 04/08/17 |
Cs2Ni3S4 | ICSD | 627055 | Fmmm (69) | ✔ | 9 | 72 | 2 | 0.3986 | 0.478 | 0.000 | (0;000) | ✗ | 02/02/17 |
SiC | ICSD | 24631 | R3m (160) | ✗ | 18 | 72 | 3 | 1.531 | 2.768 | 0.000 | (0;000) | ✗ | 11/04/17 |
SrSi2 | ICSD | 652289 | P4_332 (212) | ✗ | 12 | 72 | 3 | 0.0 | 0.003 | 0.068 | (0;000) | ✔ | 26/04/17 |
NaLiSe | ICSD | 67359 | Pnma (62) | ✔ | 12 | 72 | 1 | 2.3789 | 2.379 | 0.000 | (0;000) | ✗ | 02/02/17 |