▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▴ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Ba2Bi2O5 | ICSD | 69864 | P2_1/c (14) | ✔ | 18 | 160 | 2 | 1.8699 | 2.004 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ba2Cu3P4 | ICSD | 69494 | Ibam (72) | ✔ | 18 | 146 | 2 | 0.0 | 0.000 | 0.818 | (0;110) | ✗ | 02/02/17 |
BiI3 | ICSD | 78791 | R-3 (148) | ✔ | 8 | 72 | 2 | 1.2702 | 1.298 | 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 |
TiIN | ICSD | 27394 | Pmmn (59) | ✔ | 6 | 48 | 2 | 0.0301 | 0.030 | 0.000 | (0;000) | ✗ | 30/01/17 |
HfSnS3 | ICSD | 65667 | Pnma (62) | ✔ | 20 | 176 | 2 | 1.0307 | 1.041 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ba3(InP2)2 | ICSD | 402812 | C2/c (15) | ✔ | 18 | 152 | 2 | 1.1479 | 1.148 | 0.000 | (0;000) | ✗ | 02/02/17 |
HfTe3 | ICSD | 638962 | P2_1/m (11) | ✔ | 8 | 60 | 2 | 0.0 | 0.062 | 0.374 | (0;000) | ✗ | 02/02/17 |
TiO2 | ICSD | 97008 | Cmm2 (35) | ✗ | 12 | 96 | 2 | 0.0178 | 0.020 | 0.000 | (0;000) | ✔ | 11/04/17 |
Rb2Co3S4 | ICSD | 624797 | Ibam (72) | ✔ | 18 | 186 | 2 | 0.0 | 0.000 | 0.976 | (1;111) | ✗ | 02/02/17 |
BaBiIO2 | ICSD | 97511 | Cmcm (63) | ✔ | 10 | 88 | 2 | 2.3517 | 2.401 | 0.000 | (0;000) | ✗ | 02/02/17 |
AlPS4 | ICSD | 56821 | P4_2mc (105) | ✗ | 12 | 64 | 2 | 0.0 | 0.003 | 0.875 | ? | ✗ | 16/03/17 |
Ba(CuP2)2 | ICSD | 68802 | Fddd (70) | ✔ | 14 | 104 | 2 | 0.0 | 0.100 | 0.128 | (1;111) | ✗ | 02/02/17 |
K2OsCl6 | COD | 1011311 | Fm-3m (225) | ✔ | 9 | 76 | 2 | 0.0 | 0.439 | 0.108 | (0;000) | ✗ | 02/02/17 |
KHgSb | ICSD | 56201 | P6_3/mmc (194) | ✔ | 6 | 52 | 2 | 0.2395 | 0.325 | 0.000 | (1;110) | ✗ | 02/02/17 |
K2SnCl6 | COD | 1010173 | Fm-3m (225) | ✔ | 9 | 74 | 2 | 2.3917 | 2.392 | 0.000 | (0;000) | ✗ | 02/02/17 |
Li2O2 | COD | 1514083 | P6_3/mmc (194) | ✔ | 8 | 36 | 2 | 2.7158 | 2.716 | 0.000 | (0;000) | ✗ | 27/01/17 |
HgPS3 | ICSD | 2564 | P-1 (2) | ✔ | 10 | 70 | 2 | 1.7638 | 1.890 | 0.000 | (0;000) | ✗ | 02/02/17 |
CrF4 | ICSD | 78778 | P4_2/mnm (136) | ✔ | 20 | 168 | 2 | 0.0 | 0.023 | 0.922 | (0;000) | ✗ | 02/02/17 |
Rb2Te | ICSD | 55158 | P6_3/mmc (194) | ✔ | 6 | 48 | 2 | 1.8381 | 1.838 | 0.000 | (0;000) | ✗ | 02/02/17 |
PbWO4 | COD | 1527935 | I4_1/a (88) | ✔ | 12 | 132 | 2 | 0.0 | 0.010 | 0.310 | (1;111) | ✗ | 11/04/17 |
BCl | COD | 9008995 | P4_2/nmc (137) | ✔ | 16 | 80 | 2 | 3.0503 | 3.056 | 0.000 | (0;000) | ✗ | 02/02/17 |
Bi2Se3 | COD | 9013424 | Pnma (62) | ✔ | 20 | 192 | 2 | 0.5823 | 0.586 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ge3(Te3As)2 | ICSD | 68113 | R-3m (166) | ✔ | 11 | 58 | 2 | 0.0423 | 0.110 | 0.000 | (0;000) | ✗ | 21/03/17 |
S(IN)2 | ICSD | 72363 | P-1 (2) | ✔ | 20 | 120 | 2 | 1.0885 | 1.190 | 0.000 | (0;000) | ✗ | 02/02/17 |
BiBr3 | COD | 8103606 | C2/m (12) | ✔ | 8 | 72 | 2 | 2.0253 | 2.057 | 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 |
Cs2SnI6 | COD | 4335642 | Fm-3m (225) | ✔ | 9 | 74 | 2 | 0.0894 | 0.089 | 0.000 | (0;000) | ✗ | 02/02/17 |
Cs2Li2TiO4 | ICSD | 33810 | P-1 (2) | ✔ | 18 | 120 | 2 | 4.2643 | 4.371 | 0.000 | (0;000) | ✗ | 02/02/17 |
Bi4RuI2 | ICSD | 406949 | I4/m (87) | ✔ | 14 | 180 | 2 | 0.3499 | 0.409 | 0.000 | (0;000) | ✗ | 02/02/17 |
Cs2Ni3S4 | ICSD | 627055 | Fmmm (69) | ✔ | 9 | 72 | 2 | 0.3986 | 0.478 | 0.000 | (0;000) | ✗ | 02/02/17 |
Os(SeBr6)2 | ICSD | 182315 | C2/m (12) | ✔ | 15 | 112 | 2 | 0.2779 | 0.389 | 0.000 | (0;000) | ✗ | 02/02/17 |
Bi4Se3 | COD | 9011943 | R-3m (166) | ✔ | 7 | 78 | 2 | 0.0 | 0.084 | 0.168 | (0;111) | ✗ | 02/02/17 |
PbBr2 | COD | 9009196 | Pnma (62) | ✔ | 12 | 112 | 2 | 2.537 | 2.640 | 0.000 | (0;000) | ✗ | 02/02/17 |
PdI2 | ICSD | 25120 | P2_1/c (14) | ✔ | 12 | 128 | 2 | 0.7254 | 0.743 | 0.000 | (0;000) | ✗ | 02/02/17 |
CsPbBr3 | ICSD | 28312 | Pnma (62) | ✔ | 20 | 176 | 2 | 2.4002 | 2.502 | 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 |
PtI2 | ICSD | 60760 | P2_1/c (14) | ✔ | 12 | 96 | 2 | 1.0407 | 1.064 | 0.000 | (0;000) | ✗ | 02/02/17 |
CuBiSCl2 | ICSD | 413289 | Cmcm (63) | ✔ | 10 | 92 | 2 | 0.319 | 0.337 | 0.000 | (0;000) | ✗ | 02/02/17 |
Sn2S3 | COD | 2310450 | Pnma (62) | ✔ | 20 | 184 | 2 | 0.6328 | 0.730 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ga2NiCl8 | ICSD | 417870 | C2/c (15) | ✔ | 22 | 184 | 2 | 0.0 | 0.002 | 0.192 | (1;000) | ✗ | 07/08/17 |
Cs2SnBr6 | ICSD | 158957 | Fm-3m (225) | ✔ | 9 | 74 | 2 | 1.1057 | 1.106 | 0.000 | (0;000) | ✗ | 02/02/17 |
K2SnBr6 | ICSD | 158955 | Fm-3m (225) | ✔ | 9 | 74 | 2 | 1.3293 | 1.329 | 0.000 | (0;000) | ✗ | 02/02/17 |
SrSnS3 | ICSD | 651032 | Pnma (62) | ✔ | 20 | 168 | 2 | 1.0794 | 1.289 | 0.000 | (0;000) | ✗ | 02/02/17 |
Te8RuCl2 | ICSD | 422366 | C2/c (15) | ✔ | 22 | 156 | 2 | 0.1936 | 0.197 | 0.000 | (0;000) | ✗ | 07/08/17 |
PbBrCl | ICSD | 45881 | Pnma (62) | ✔ | 12 | 112 | 2 | 2.9126 | 3.004 | 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 |
SrZrS3 | ICSD | 154103 | Pnma (62) | ✔ | 20 | 128 | 2 | 0.3824 | 0.382 | 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 |
Sn2SbS2I3 | ICSD | 23344 | Cmcm (63) | ✔ | 16 | 132 | 2 | 0.3236 | 0.363 | 0.000 | (0;000) | ✗ | 02/02/17 |