▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▴ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
LiGaAs2O7 | ICSD | 161500 | C2 (5) | ✗ | 11 | 68 | 3 | 3.2297 | 3.364 | 0.000 | (0;000) | ✗ | 15/02/17 |
Bi2Te4Pb | ICSD | 616936 | R-3m (166) | ✔ | 7 | 68 | 3 | 0.0449 | 0.134 | 0.000 | (1;111) | ✗ | 02/02/17 |
Na2CdSnS4 | COD | 7011307 | C2 (5) | ✗ | 8 | 68 | 3 | 2.0139 | 2.014 | 0.000 | (0;000) | ✗ | 22/03/17 |
NaInTe2 | ICSD | 25346 | I4/mcm (140) | ✔ | 8 | 68 | 1 | 0.7113 | 0.926 | 0.000 | (0;000) | ✗ | 02/02/17 |
K2SnHgSe4 | ICSD | 413308 | I-42m (121) | ✗ | 8 | 68 | 1 | 1.5248 | 1.525 | 0.000 | (0;000) | ✗ | 29/03/17 |
BaSi6 | COD | 8103027 | Cmcm (63) | ✔ | 14 | 68 | 3 | 0.0 | 0.004 | 0.931 | (0;110) | ✗ | 02/02/17 |
H10C7O5 | COD | 7218172 | P1 (1) | ✗ | 22 | 68 | 1 | 4.6528 | 4.703 | 0.000 | (0;000) | ✗ | 04/08/17 |
FeCu2SnS4 | ICSD | 181166 | P-42m (111) | ✗ | 8 | 68 | 3 | 0.0 | 0.005 | 0.465 | ? | ✗ | 15/02/17 |
K2CuSb | ICSD | 53298 | Cmcm (63) | ✔ | 8 | 68 | 1 | 1.0717 | 1.239 | 0.000 | (0;000) | ✗ | 02/02/17 |
H3I3N2 | ICSD | 27416 | P2_1/m (11) | ✔ | 16 | 68 | 3 | 0.8803 | 1.057 | 0.000 | (0;000) | ✗ | 02/02/17 |
Co(IN2)3 | COD | 9015112 | Fm-3m (225) | ✔ | 10 | 68 | 1 | 0.0 | 0.033 | 0.289 | (1;000) | ✗ | 02/02/17 |
CrB | ICSD | 613476 | I4_1/amd (141) | ✔ | 8 | 68 | 3 | 0.0 | 0.005 | 0.669 | (1;111) | ✗ | 21/03/17 |
CsGaS2 | COD | 1529692 | C2/c (15) | ✔ | 8 | 68 | 1 | 3.367 | 3.379 | 0.000 | (0;000) | ✗ | 02/02/17 |
NbI3 | ICSD | 109145 | P6_3/mcm (193) | ✔ | 8 | 68 | 1 | 0.0 | 0.006 | 0.336 | (0;000) | ✗ | 02/02/17 |
K2CuP | ICSD | 61082 | Cmcm (63) | ✔ | 8 | 68 | 1 | 1.118 | 1.194 | 0.000 | (0;000) | ✗ | 22/03/17 |
K2CdSnSe4 | ICSD | 185468 | I-42m (121) | ✗ | 8 | 68 | 1 | 1.761 | 1.761 | 0.000 | (0;000) | ✗ | 22/03/17 |
BaSbClO2 | ICSD | 200962 | Cmcm (63) | ✔ | 10 | 68 | 1 | 0.8819 | 2.937 | 1.000 | (0;000) | ✗ | 02/02/17 |
YInCu4 | ICSD | 628179 | F-43m (216) | ✗ | 6 | 68 | 3 | 0.0 | 0.502 | 0.123 | (0;000) | ✔ | 15/02/17 |
Li4RuH6 | ICSD | 638272 | R-3c (167) | ✔ | 22 | 68 | 1 | 2.2498 | 2.250 | 0.000 | (0;000) | ✗ | 04/08/17 |
H3AuC2NCl | ICSD | 152108 | P2_1 (4) | ✗ | 16 | 68 | 1 | 3.3571 | 3.585 | 0.000 | (0;000) | ✗ | 21/03/17 |
FeCu2SnS4 | COD | 9004745 | I-42m (121) | ✗ | 8 | 68 | 3 | 0.0 | 0.004 | 0.365 | (1;111) | ✔ | 15/02/17 |
SiPt3 | ICSD | 649613 | P4/mbm (127) | ✔ | 8 | 68 | 3 | 0.0 | 0.019 | 0.278 | (1;000) | ✗ | 02/02/17 |
H3C4N3 | COD | 2205937 | Pc (7) | ✗ | 20 | 68 | 1 | 4.3703 | 4.482 | 0.000 | (0;000) | ✗ | 21/03/17 |
Ge4Te7As2 | ICSD | 68114 | R-3m (166) | ✔ | 13 | 68 | 2 | 0.0 | 0.020 | 0.022 | (1;000) | ✗ | 21/03/17 |
CaZnSO | ICSD | 245309 | P6_3mc (186) | ✗ | 8 | 68 | 1 | 2.7339 | 2.734 | 0.000 | (0;000) | ✗ | 15/02/17 |
CuH6BrN2 | COD | 7104068 | C2/c (15) | ✔ | 20 | 68 | 1 | 2.3525 | 2.353 | 0.000 | (0;000) | ✗ | 02/02/17 |
RbInTe2 | ICSD | 75346 | I4/mcm (140) | ✔ | 8 | 68 | 1 | 0.9151 | 1.411 | 0.000 | (0;000) | ✗ | 02/02/17 |
Pd(Se3Br)2 | ICSD | 418160 | P-1 (2) | ✔ | 9 | 68 | 2 | 0.7959 | 0.796 | 0.000 | (0;000) | ✗ | 02/02/17 |
HCO2 | COD | 5900034 | P2_1/c (14) | ✔ | 16 | 68 | 1 | 0.0 | 0.011 | 0.058 | (1;010) | ✗ | 02/02/17 |
H3C2O | COD | 2005623 | Fdd2 (43) | ✗ | 24 | 68 | 2 | 4.9086 | 5.077 | 0.000 | (0;000) | ✗ | 04/08/17 |
Na2Zr(CuS2)2 | ICSD | 79536 | C2/m (12) | ✔ | 9 | 68 | 1 | 0.0 | 0.012 | 0.006 | (1;000) | ✗ | 27/01/17 |
YAgTe2 | ICSD | 154792 | P-42_1m (113) | ✗ | 8 | 68 | 3 | 0.6696 | 0.692 | 0.000 | (0;000) | ✗ | 07/10/16 |
KClO3 | COD | 1010217 | P2_1/m (11) | ✔ | 10 | 68 | 1 | 1.326 | 1.347 | 0.000 | (0;000) | ✗ | 27/01/17 |
InPPt5 | ICSD | 640194 | P4/mmm (123) | ✔ | 7 | 68 | 3 | 0.0 | 0.007 | 0.517 | (1;000) | ✗ | 27/01/17 |
VF3 | COD | 1000468 | R-3c (167) | ✔ | 8 | 68 | 3 | 0.0 | 0.014 | 0.628 | (0;000) | ✗ | 27/01/17 |
SrCd2 | COD | 1524728 | Imma (74) | ✔ | 6 | 68 | 3 | 0.0 | 0.012 | 0.472 | (0;111) | ✗ | 27/01/17 |
K2AgP | COD | 8103396 | Cmcm (63) | ✔ | 8 | 68 | 1 | 1.1954 | 1.279 | 0.000 | (0;000) | ✗ | 30/01/17 |
CsAgBr2 | COD | 1509157 | Cmcm (63) | ✔ | 8 | 68 | 2 | 2.0615 | 2.492 | 0.000 | (0;000) | ✗ | 30/01/17 |
CrCdF6 | COD | 1525283 | R-3 (148) | ✔ | 8 | 68 | 3 | 0.0 | 0.029 | 0.188 | (0;000) | ✗ | 27/01/17 |
Na2AgSb | COD | 7209348 | Cmcm (63) | ✔ | 8 | 68 | 1 | 0.5506 | 0.615 | 0.000 | (0;000) | ✗ | 30/01/17 |
ZnCO3 | COD | 9000099 | R-3c (167) | ✔ | 10 | 68 | 3 | 3.7274 | 4.675 | 0.000 | (0;000) | ✗ | 27/01/17 |
MoP4 | ICSD | 105057 | C2/c (15) | ✔ | 10 | 68 | 2 | 0.0 | 0.019 | 0.126 | (1;000) | ✔ | 04/10/16 |
TiP | COD | 9008969 | P6_3/mmc (194) | ✔ | 8 | 68 | 3 | 0.0 | 0.003 | 0.549 | (1;000) | ✗ | 27/01/17 |
ZrGa | COD | 1522708 | I4_1/amd (141) | ✔ | 8 | 68 | 3 | 0.0 | 0.004 | 0.747 | (1;111) | ✗ | 27/01/17 |
NiMoP2 | ICSD | 76283 | P6_3/mmc (194) | ✔ | 8 | 68 | 3 | 0.0 | 0.016 | 0.293 | (0;000) | ✗ | 27/01/17 |
HCO2 | COD | 4507991 | P2_1/c (14) | ✔ | 16 | 68 | 1 | 3.2517 | 3.449 | 0.000 | (0;000) | ✗ | 27/01/17 |
K2AgBi | ICSD | 1156 | C222_1 (20) | ✗ | 8 | 68 | 1 | 0.6946 | 0.866 | 0.000 | (0;000) | ✗ | 06/10/16 |
CsAgBr2 | ICSD | 150302 | P4/nmm (129) | ✔ | 8 | 68 | 2 | 1.7855 | 2.190 | 0.000 | (0;000) | ✗ | 30/01/17 |
MgMoN2 | COD | 7208132 | P6_3/mmc (194) | ✔ | 8 | 68 | 3 | 0.0 | 1.535 | 0.119 | (0;000) | ✗ | 27/01/17 |
MoP4 | COD | 2106092 | C2/c (15) | ✔ | 10 | 68 | 2 | 0.0 | 0.019 | 0.126 | (1;000) | ✗ | 27/01/17 |