▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▴ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
AlBiO3 | ICSD | 185508 | R3c (161) | ✗ | 10 | 52 | 3 | 2.9662 | 2.992 | 0.000 | (0;000) | ✗ | 06/10/16 |
As2Os | ICSD | 42610 | Pmnn (58) | ✔ | 6 | 52 | 3 | 0.6535 | 1.171 | 0.000 | (0;000) | ✗ | 06/10/16 |
AlCuS2 | ICSD | 165738 | I-42d (122) | ✗ | 8 | 52 | 3 | 1.9307 | 1.931 | 0.000 | (0;000) | ✗ | 07/10/16 |
AlCuSe2 | ICSD | 165740 | I-42d (122) | ✗ | 8 | 52 | 3 | 1.3029 | 1.303 | 0.000 | (0;000) | ✗ | 07/10/16 |
AlCuTe2 | ICSD | 165742 | I-42d (122) | ✗ | 8 | 52 | 3 | 1.002 | 1.002 | 0.000 | (0;000) | ✗ | 07/10/16 |
As2Ru | ICSD | 42578 | Pmnn (58) | ✔ | 6 | 52 | 3 | 0.2439 | 0.936 | 0.000 | (0;000) | ✗ | 06/10/16 |
CdSiAs2 | ICSD | 22187 | I-42d (122) | ✗ | 8 | 52 | 3 | 0.7902 | 0.792 | 0.000 | (0;000) | ✗ | 07/10/16 |
SbF3 | ICSD | 16142 | Cc2m (40) | ✗ | 8 | 52 | 3 | 4.4474 | 4.748 | 0.000 | (0;000) | ✗ | 06/10/16 |
SrCuSb | ICSD | 53339 | P6_3/mmc (194) | ✔ | 6 | 52 | 2 | 0.0 | 0.386 | 0.132 | (0;000) | ✗ | 27/01/17 |
ZnGeAs2 | ICSD | 16735 | I-42d (122) | ✗ | 8 | 52 | 3 | 0.3013 | 0.301 | 0.000 | (0;000) | ✔ | 07/10/16 |
ZnSiAs2 | ICSD | 191070 | I-42d (122) | ✗ | 8 | 52 | 3 | 1.1183 | 1.118 | 0.000 | (0;000) | ✗ | 07/10/16 |
CuBS2 | ICSD | 156413 | I-42d (122) | ✗ | 8 | 52 | 3 | 1.6658 | 1.666 | 0.000 | (0;000) | ✗ | 07/10/16 |
CuBSe2 | ICSD | 613591 | I-42d (122) | ✗ | 8 | 52 | 3 | 0.4946 | 0.501 | 0.000 | (0;000) | ✔ | 07/10/16 |
MoO2 | ICSD | 108875 | P2_1 (4) | ✗ | 6 | 52 | 3 | 0.0 | 0.114 | 0.261 | (0;100) | ✔ | 04/10/16 |
CdGeP2 | ICSD | 100467 | I-42d (122) | ✗ | 8 | 52 | 3 | 0.9575 | 0.958 | 0.000 | (0;000) | ✗ | 07/10/16 |
CdSiP2 | ICSD | 22188 | I-42d (122) | ✗ | 8 | 52 | 3 | 1.3977 | 1.398 | 0.000 | (0;000) | ✗ | 07/10/16 |
Sr(GeRh)2 | ICSD | 77145 | I4/mmm (139) | ✔ | 5 | 52 | 3 | 0.0 | 0.024 | 0.619 | (1;111) | ✗ | 27/01/17 |
CuPN2 | ICSD | 194793 | I-42d (122) | ✗ | 8 | 52 | 3 | 1.872 | 2.098 | 0.000 | (0;000) | ✗ | 07/10/16 |
Hf2GaSb3 | ICSD | 189076 | P-4m2 (115) | ✗ | 6 | 52 | 3 | 0.0 | 0.015 | 0.794 | (0;100) | ✔ | 07/10/16 |
ZnGeP2 | ICSD | 16734 | I-42d (122) | ✗ | 8 | 52 | 3 | 1.319 | 1.491 | 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 |
ZnSiP2 | ICSD | 191069 | I-42d (122) | ✗ | 8 | 52 | 3 | 1.3437 | 1.344 | 0.000 | (0;000) | ✗ | 07/10/16 |
LiGe2N3 | ICSD | 636887 | Ccm2_1 (36) | ✗ | 12 | 52 | 3 | 1.5113 | 1.513 | 0.000 | (0;000) | ✗ | 29/11/16 |
ZnCO6 | COD | 5910061 | R-3m (166) | ✔ | 8 | 52 | 3 | 0.0 | 0.006 | 0.388 | (1;111) | ✗ | 27/01/17 |
HgH2NCl | ICSD | 92480 | Pmma (51) | ✔ | 10 | 52 | 2 | 2.5214 | 2.604 | 0.000 | (0;000) | ✗ | 27/01/17 |
Zr2InN | ICSD | 640031 | P6_3/mmc (194) | ✔ | 8 | 52 | 3 | 0.0 | 0.032 | 0.506 | (1;000) | ✗ | 27/01/17 |
BiI3 | ICSD | 187608 | P2_1 (4) | ✗ | 8 | 52 | 3 | 0.0 | 0.431 | 0.407 | (0;000) | ✔ | 06/10/16 |
Fe(NiSe2)2 | ICSD | 632972 | C2/m (12) | ✔ | 7 | 52 | 3 | 0.0 | 0.038 | 0.621 | (1;111) | ✗ | 27/01/17 |
CuBi | ICSD | 616577 | P6_3/mmc (194) | ✔ | 4 | 52 | 3 | 0.0 | 0.048 | 0.504 | (1;000) | ✗ | 05/01/17 |
Zr2PbC | ICSD | 618634 | P6_3/mmc (194) | ✔ | 8 | 52 | 3 | 0.0 | 0.000 | 0.563 | (1;000) | ✗ | 27/01/17 |
CaBiAu | ICSD | 248677 | P6_3mc (186) | ✗ | 6 | 52 | 3 | 0.0 | 0.017 | 0.085 | (1;000) | ✔ | 06/10/16 |
CaBiAu | ICSD | 248679 | P6_3mc (186) | ✗ | 6 | 52 | 3 | 0.0 | 0.016 | 0.069 | (1;000) | ✔ | 06/10/16 |
CaBiAu | ICSD | 248681 | P6_3mc (186) | ✗ | 6 | 52 | 3 | 0.0 | 0.039 | 0.081 | (0;000) | ✔ | 06/10/16 |
CaBiAu | ICSD | 248683 | P6_3mc (186) | ✗ | 6 | 52 | 3 | 0.0 | 0.043 | 0.125 | (0;000) | ✔ | 06/10/16 |
CaBiAu | ICSD | 248685 | P6_3mc (186) | ✗ | 6 | 52 | 3 | 0.0 | 0.029 | 0.076 | (1;000) | ✔ | 06/10/16 |
BiI3 | ICSD | 187305 | R-3 (148) | ✔ | 8 | 52 | 2 | 1.454 | 1.544 | 0.000 | (0;000) | ✗ | 06/10/16 |
ScGeAu | ICSD | 81733 | P6_3mc (186) | ✗ | 6 | 52 | 3 | 0.0 | 0.001 | 0.154 | (0;000) | ✔ | 06/10/16 |
YGeAu | ICSD | 405323 | P6_3mc (186) | ✗ | 6 | 52 | 3 | 0.0 | 0.020 | 0.132 | (1;000) | ✔ | 06/10/16 |
YGeAu | ICSD | 656878 | P6_3mc (186) | ✗ | 6 | 52 | 3 | 0.0 | 0.015 | 0.132 | (1;000) | ✔ | 06/10/16 |
AlPd | ICSD | 58114 | P2_13 (198) | ✗ | 8 | 52 | 3 | 0.0 | 0.000 | 0.482 | (1;101) | ✔ | 06/10/16 |
ScSiAu | ICSD | 71998 | P-6m2 (187) | ✗ | 6 | 52 | 3 | 0.0 | 0.035 | 0.194 | (0;000) | ✔ | 06/10/16 |
YSiAu | ICSD | 72000 | P6_3mc (186) | ✗ | 6 | 52 | 3 | 0.0 | 0.007 | 0.176 | (0;000) | ✔ | 06/10/16 |
Ag2PdO2 | COD | 1509691 | Immm (71) | ✔ | 5 | 52 | 3 | 0.0 | 0.786 | 0.083 | (0;000) | ✗ | 05/01/17 |
CrO2 | COD | 1516110 | P4_2/mnm (136) | ✔ | 6 | 52 | 3 | 0.0 | 0.001 | 0.616 | (0;000) | ✗ | 27/01/17 |
AlAgO2 | COD | 1509222 | P6_3/mmc (194) | ✔ | 8 | 52 | 3 | 2.4214 | 2.600 | 0.000 | (0;000) | ✗ | 05/01/17 |
BaAgAs | COD | 7209304 | P6_3/mmc (194) | ✔ | 6 | 52 | 3 | 0.0 | 0.020 | 0.007 | (1;000) | ✗ | 05/01/17 |
SrAgAs | COD | 7209311 | P6_3/mmc (194) | ✔ | 6 | 52 | 2 | 0.0 | 0.003 | 0.007 | (1;000) | ✗ | 05/01/17 |
MoSe2 | ICSD | 49800 | P6_3/mmc (194) | ✔ | 6 | 52 | 2 | 0.8058 | 1.388 | 0.000 | (0;000) | ✗ | 27/01/17 |
MoSe2 | ICSD | 644346 | P6_3/mmc (194) | ✔ | 6 | 52 | 2 | 0.8472 | 1.396 | 0.000 | (0;000) | ✗ | 27/01/17 |
BaAgP | COD | 7209317 | P6_3/mmc (194) | ✔ | 6 | 52 | 3 | 0.1741 | 0.383 | 0.000 | (0;000) | ✗ | 05/01/17 |
Te2Mo | COD | 9009147 | P6_3/mmc (194) | ✔ | 6 | 52 | 2 | 0.6746 | 0.974 | 0.000 | (0;000) | ✗ | 27/01/17 |
AlPt | ICSD | 58129 | P2_13 (198) | ✗ | 8 | 52 | 3 | 0.0 | 0.000 | 0.324 | (0;000) | ✔ | 06/10/16 |
BaAgSb | ICSD | 56981 | P6_3/mmc (194) | ✔ | 6 | 52 | 2 | 0.0 | 0.223 | 0.085 | (0;000) | ✗ | 05/01/17 |
BaAgSb | COD | 1509224 | P6_3/mmc (194) | ✔ | 6 | 52 | 2 | 0.0 | 0.052 | 0.465 | (1;000) | ✗ | 05/01/17 |
AgH3BrN | COD | 7103195 | P2_1/m (11) | ✔ | 12 | 52 | 2 | 2.3806 | 2.588 | 0.000 | (0;000) | ✗ | 05/01/17 |
CaAgBi | ICSD | 416283 | P6_3mc (186) | ✗ | 6 | 52 | 3 | 0.0 | 0.025 | 0.154 | (0;000) | ✔ | 06/10/16 |
SrCuP | ICSD | 53323 | P6_3/mmc (194) | ✔ | 6 | 52 | 3 | 0.0 | 0.540 | 0.110 | (0;000) | ✗ | 27/01/17 |
CrWO4 | ICSD | 8269 | Cmmm (65) | ✔ | 6 | 52 | 3 | 0.0 | 0.036 | 0.669 | (0;110) | ✗ | 27/01/17 |
KAgSe | COD | 1509424 | P4/nmm (129) | ✔ | 6 | 52 | 2 | 0.4259 | 0.426 | 0.000 | (0;000) | ✗ | 05/01/17 |
MgAgSb | ICSD | 187150 | P4/nmm (129) | ✔ | 6 | 52 | 3 | 0.0 | 0.009 | 0.235 | (1;000) | ✗ | 05/01/17 |
AgN3 | COD | 1010308 | I4/mcm (140) | ✔ | 8 | 52 | 3 | 1.6092 | 1.609 | 0.000 | (0;000) | ✗ | 05/01/17 |
HgI2 | ICSD | 22242 | Ccm2_1 (36) | ✗ | 6 | 52 | 2 | 1.8395 | 1.994 | 0.000 | (0;000) | ✗ | 06/10/16 |
SrAgP | COD | 7209350 | P6_3/mmc (194) | ✔ | 6 | 52 | 2 | 0.1954 | 0.195 | 0.000 | (0;000) | ✗ | 05/01/17 |
SrAgSb | COD | 1509533 | P6_3/mmc (194) | ✔ | 6 | 52 | 3 | 0.0 | 0.022 | 0.362 | (1;000) | ✗ | 05/01/17 |
Al3Ir | ICSD | 608237 | P6_3/mmc (194) | ✔ | 8 | 52 | 3 | 0.0 | 0.001 | 0.542 | (1;000) | ✗ | 05/01/17 |
Sr2FeO4 | ICSD | 74421 | I4/mmm (139) | ✔ | 7 | 52 | 2 | 0.0 | 0.003 | 0.768 | (0;000) | ✗ | 27/01/17 |
InClO | ICSD | 24058 | Pmmn (59) | ✔ | 6 | 52 | 2 | 2.552 | 2.827 | 0.000 | (0;000) | ✗ | 27/01/17 |
AlAuO2 | COD | 1531586 | P6_3/mmc (194) | ✔ | 8 | 52 | 3 | 0.5094 | 1.563 | 0.000 | (0;000) | ✗ | 05/01/17 |
TiAlAu | ICSD | 57506 | P6_3/mmc (194) | ✔ | 6 | 52 | 3 | 0.0 | 0.011 | 0.745 | (1;000) | ✗ | 05/01/17 |
MnAlCo2 | ICSD | 606611 | Fm-3m (225) | ✔ | 4 | 52 | 3 | 0.0 | 0.007 | 0.260 | (0;000) | ✗ | 05/01/17 |
TeI | ICSD | 108 | C2/m (12) | ✔ | 8 | 52 | 2 | 0.4247 | 0.727 | 0.000 | (0;000) | ✔ | 06/10/16 |
AlCuO2 | COD | 1531583 | P6_3/mmc (194) | ✔ | 8 | 52 | 3 | 1.9892 | 2.478 | 0.000 | (0;000) | ✗ | 05/01/17 |
PI3 | ICSD | 311 | P2_1 (4) | ✗ | 8 | 52 | 1 | 1.8955 | 1.899 | 0.000 | (0;000) | ✗ | 06/10/16 |
FeP | COD | 9008932 | Pnma (62) | ✔ | 8 | 52 | 3 | 0.0 | 0.000 | 0.363 | (0;011) | ✗ | 27/01/17 |
YSiCu | ICSD | 30772 | P6_3/mmc (194) | ✔ | 6 | 52 | 3 | 0.0 | 0.007 | 0.344 | (0;000) | ✗ | 27/01/17 |
CdBr2 | ICSD | 25782 | P6_3mc (186) | ✗ | 6 | 52 | 2 | 2.6943 | 2.694 | 0.000 | (0;000) | ✗ | 06/10/16 |
MnAlRh2 | ICSD | 57986 | Fm-3m (225) | ✔ | 4 | 52 | 3 | 0.0 | 0.003 | 0.220 | (0;000) | ✗ | 05/01/17 |
RbBe2F5 | ICSD | 28541 | P1 (1) | ✗ | 8 | 52 | 2 | 6.8553 | 6.858 | 0.000 | (0;000) | ✗ | 06/10/16 |
HgBr2 | ICSD | 36158 | Ccm2_1 (36) | ✗ | 6 | 52 | 2 | 2.1612 | 2.218 | 0.000 | (0;000) | ✗ | 06/10/16 |
YAlZn | ICSD | 609667 | P6_3/mmc (194) | ✔ | 6 | 52 | 3 | 0.0 | 0.006 | 0.377 | (0;000) | ✗ | 05/01/17 |
SBr | ICSD | 37020 | Cc2e (41) | ✗ | 8 | 52 | 1 | 2.0962 | 2.254 | 0.000 | (0;000) | ✗ | 06/10/16 |
Ba(AsRu)2 | ICSD | 602110 | I4/mmm (139) | ✔ | 5 | 52 | 2 | 0.0 | 0.002 | 0.513 | (1;111) | ✗ | 05/01/17 |
SeBr | ICSD | 37019 | Cc2e (41) | ✗ | 8 | 52 | 1 | 1.6226 | 1.760 | 0.000 | (0;000) | ✗ | 06/10/16 |
Ca(AsRu)2 | ICSD | 602108 | I4/mmm (139) | ✔ | 5 | 52 | 3 | 0.0 | 0.028 | 0.550 | (1;111) | ✗ | 05/01/17 |
Mn2ZnAs2 | ICSD | 39512 | P-3m1 (164) | ✔ | 5 | 52 | 3 | 0.0 | 0.014 | 0.505 | (0;001) | ✗ | 05/01/17 |
As2Os | COD | 9012561 | Pnnm (58) | ✔ | 6 | 52 | 3 | 0.6395 | 1.158 | 0.000 | (0;000) | ✗ | 05/01/17 |
Sr(AsRu)2 | ICSD | 611298 | I4/mmm (139) | ✔ | 5 | 52 | 2 | 0.0 | 0.007 | 0.548 | (1;000) | ✗ | 05/01/17 |
As2Ru | COD | 9012558 | Pnnm (58) | ✔ | 6 | 52 | 3 | 0.4005 | 1.052 | 0.000 | (0;000) | ✗ | 05/01/17 |
BaAsAu | ICSD | 420341 | P6_3/mmc (194) | ✔ | 6 | 52 | 2 | 0.0 | 0.000 | 0.046 | (1;000) | ✗ | 05/01/17 |
CaAsAu | ICSD | 107915 | P6_3/mmc (194) | ✔ | 6 | 52 | 2 | 0.0 | 0.020 | 0.040 | (1;000) | ✗ | 05/01/17 |
BaCuAs | ICSD | 41705 | P6_3/mmc (194) | ✔ | 6 | 52 | 3 | 0.0 | 0.214 | 0.134 | (0;000) | ✗ | 05/01/17 |
CaCuAs | ICSD | 659435 | P6_3/mmc (194) | ✔ | 6 | 52 | 2 | 0.0 | 0.386 | 0.035 | (0;000) | ✗ | 05/01/17 |
HgIBr | ICSD | 109010 | Ccm2_1 (36) | ✗ | 6 | 52 | 2 | 1.3842 | 1.389 | 0.000 | (0;000) | ✗ | 06/10/16 |
KCdAs | ICSD | 609963 | P4/nmm (129) | ✔ | 6 | 52 | 1 | 0.074 | 0.102 | 0.000 | (0;000) | ✗ | 05/01/17 |
MgCuAs | COD | 9008319 | P4/nmm (129) | ✔ | 6 | 52 | 3 | 0.0 | 0.027 | 0.307 | (1;000) | ✗ | 05/01/17 |
SrCuAs | ICSD | 107943 | P6_3/mmc (194) | ✔ | 6 | 52 | 2 | 0.0 | 0.185 | 0.079 | (0;000) | ✗ | 05/01/17 |
VClO | COD | 2106692 | Pmmn (59) | ✔ | 6 | 52 | 2 | 0.0 | 0.002 | 0.323 | (1;001) | ✗ | 27/01/17 |
FeAs | COD | 9007671 | Pnma (62) | ✔ | 8 | 52 | 3 | 0.0 | 0.001 | 0.486 | (0;011) | ✗ | 05/01/17 |
KHgAs | COD | 7221177 | P6_3/mmc (194) | ✔ | 6 | 52 | 2 | 0.0686 | 0.093 | 0.000 | (0;000) | ✗ | 05/01/17 |
KZnAs | COD | 7221178 | P6_3/mmc (194) | ✔ | 6 | 52 | 2 | 0.2879 | 0.288 | 0.000 | (0;000) | ✗ | 05/01/17 |