▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▴ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Tl(MoSe)3 | ICSD | 53119 | P6_3/m (176) | ✔ | 14 | 146 | 1 | 0.0 | 0.000 | 0.290 | (0;000) | ✗ | 02/02/17 |
AgI | ICSD | 56557 | P2_1/m (11) | ✔ | 4 | 36 | 3 | 0.3263 | 1.617 | 0.000 | (0;000) | ✔ | 06/10/16 |
Tl(MoSe)3 | ICSD | 603627 | P6_3/m (176) | ✔ | 14 | 146 | 3 | 0.0 | 0.000 | 0.303 | (0;000) | ✗ | 02/02/17 |
CdTe | ICSD | 150941 | P6_3mc (186) | ✗ | 4 | 36 | 3 | 0.5613 | 0.561 | 0.000 | (0;000) | ✗ | 06/10/16 |
Si2Mo3 | ICSD | 644412 | P4/mbm (127) | ✔ | 10 | 100 | 1 | 0.0 | 0.002 | 0.589 | (0;000) | ✗ | 02/02/17 |
PbSe | ICSD | 74334 | F2mm (42) | ✗ | 4 | 40 | 2 | 0.9339 | 0.934 | 0.000 | (0;000) | ✗ | 06/10/16 |
RbIO3 | ICSD | 2825 | R3m (160) | ✗ | 5 | 34 | 1 | 2.7038 | 2.708 | 0.000 | (0;000) | ✗ | 06/10/16 |
Tl(TeMo)3 | COD | 1521172 | P6_3/m (176) | ✔ | 14 | 146 | 3 | 0.0 | 0.000 | 0.290 | (0;000) | ✗ | 02/02/17 |
K2Ca(CO3)2 | COD | 9009292 | R-3m (166) | ✔ | 11 | 72 | 1 | 4.4404 | 4.440 | 0.000 | (0;000) | ✗ | 27/01/17 |
Si3Mo5 | ICSD | 644410 | P6_3/mcm (193) | ✔ | 16 | 164 | 3 | 0.0 | 0.004 | 0.827 | (0;000) | ✗ | 02/02/17 |
CaMg(CO3)2 | COD | 1200014 | R-3 (148) | ✔ | 10 | 64 | 2 | 5.1415 | 5.552 | 0.000 | (0;000) | ✗ | 27/01/17 |
TlIO3 | ICSD | 62106 | R3m (160) | ✗ | 5 | 38 | 1 | 2.5705 | 2.612 | 0.000 | (0;000) | ✗ | 06/10/16 |
CaMg(CO3)2 | COD | 9001415 | R-3 (148) | ✔ | 10 | 64 | 2 | 5.1156 | 5.545 | 0.000 | (0;000) | ✗ | 27/01/17 |
CaC2 | COD | 1010500 | Pn-3m (224) | ✔ | 12 | 72 | 1 | 1.7564 | 2.259 | 0.000 | (0;000) | ✗ | 27/01/17 |
PtO2 | ICSD | 202407 | Pmnn (58) | ✔ | 6 | 44 | 3 | 0.4791 | 0.746 | 0.000 | (0;000) | ✗ | 06/10/16 |
Cd(CO2)2 | COD | 2012182 | P2_1/c (14) | ✔ | 14 | 88 | 3 | 3.3446 | 3.396 | 0.000 | (0;000) | ✗ | 27/01/17 |
SbSI | ICSD | 26924 | P2_1nb (33) | ✗ | 12 | 72 | 1 | 1.4207 | 1.565 | 0.000 | (0;000) | ✗ | 06/10/16 |
Na4Mo(NO)2 | ICSD | 73102 | P-1 (2) | ✔ | 18 | 144 | 1 | 2.0429 | 2.120 | 0.000 | (0;000) | ✗ | 02/02/17 |
Na2MoO4 | ICSD | 151971 | Fddd (70) | ✔ | 14 | 112 | 1 | 3.8382 | 3.838 | 0.000 | (0;000) | ✗ | 02/02/17 |
Cr3C2 | ICSD | 57009 | Cmcm (63) | ✔ | 10 | 100 | 3 | 0.0 | 0.007 | 0.781 | (0;000) | ✗ | 27/01/17 |
Rb2Mo(SO)2 | ICSD | 423992 | C2/c (15) | ✔ | 14 | 112 | 1 | 2.2015 | 2.383 | 0.000 | (0;000) | ✗ | 02/02/17 |
MoO3 | COD | 9014987 | Pnma (62) | ✔ | 16 | 128 | 2 | 2.2396 | 3.008 | 0.000 | (0;000) | ✗ | 02/02/17 |
Rb2MoO4 | ICSD | 24904 | C2/m (12) | ✔ | 14 | 112 | 1 | 3.6232 | 3.714 | 0.000 | (0;000) | ✗ | 02/02/17 |
Tl2MoO4 | COD | 2009101 | P-3m1 (164) | ✔ | 14 | 128 | 3 | 3.034 | 3.116 | 0.000 | (0;000) | ✗ | 02/02/17 |
MoPb2O5 | COD | 7220560 | C2/m (12) | ✔ | 16 | 144 | 3 | 2.6543 | 2.911 | 0.000 | (0;000) | ✗ | 02/02/17 |
TiPd | ICSD | 167649 | P2_1/m (11) | ✔ | 4 | 44 | 3 | 0.0 | 0.000 | 0.849 | (0;000) | ✔ | 06/10/16 |
ZrSiMo | ICSD | 644448 | Pnma (62) | ✔ | 12 | 88 | 3 | 0.0 | 0.011 | 0.382 | (0;000) | ✗ | 02/02/17 |
Te2Mo | COD | 2310356 | P2_1/m (11) | ✔ | 12 | 104 | 2 | 0.0 | 0.034 | 0.170 | (0;000) | ✗ | 02/02/17 |
Sr2NiN2 | COD | 1526740 | Pnma (62) | ✔ | 20 | 160 | 1 | 0.0 | 0.001 | 0.269 | (0;000) | ✗ | 02/02/17 |
SeS2(NO)2 | ICSD | 69978 | C2/c (15) | ✔ | 14 | 80 | 1 | 1.8532 | 1.897 | 0.000 | (0;000) | ✗ | 02/02/17 |
S3(NO)2 | COD | 7221380 | C2/c (15) | ✔ | 14 | 80 | 1 | 1.5897 | 1.717 | 0.000 | (0;000) | ✗ | 02/02/17 |
S3(NO)2 | COD | 7221393 | C2/c (15) | ✔ | 14 | 80 | 1 | 1.241 | 1.348 | 0.000 | (0;000) | ✗ | 02/02/17 |
Pd(NO3)2 | ICSD | 425998 | P2_1/c (14) | ✔ | 18 | 128 | 2 | 1.5489 | 1.549 | 0.000 | (0;000) | ✗ | 02/02/17 |
Pt(S3N)2 | COD | 9015488 | P-3m1 (164) | ✔ | 9 | 56 | 1 | 0.0 | 0.002 | 0.439 | (0;000) | ✗ | 02/02/17 |
RuO2 | ICSD | 290495 | Pmnn (58) | ✔ | 6 | 56 | 3 | 0.0 | 0.041 | 0.284 | (0;000) | ✗ | 06/10/16 |
SrSiN2 | COD | 4343851 | P2_1/c (14) | ✔ | 16 | 96 | 1 | 2.9169 | 3.060 | 0.000 | (0;000) | ✗ | 02/02/17 |
Tc2Pt(NO2)4 | COD | 9007726 | P-1 (2) | ✔ | 15 | 108 | 1 | 0.0 | 0.803 | 1.000 | (0;000) | ✗ | 02/02/17 |
SbSI | ICSD | 28263 | P2_1nb (33) | ✗ | 12 | 72 | 1 | 1.4604 | 1.638 | 0.000 | (0;000) | ✗ | 06/10/16 |
Ta3N5 | COD | 1005006 | Cmcm (63) | ✔ | 16 | 128 | 3 | 1.2557 | 1.519 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ta3N5 | COD | 1528098 | Cmcm (63) | ✔ | 16 | 128 | 3 | 0.0 | 0.022 | 0.497 | (0;000) | ✗ | 02/02/17 |
SbN9 | ICSD | 413359 | R-3 (148) | ✔ | 20 | 100 | 1 | 2.7027 | 2.734 | 0.000 | (0;000) | ✗ | 02/02/17 |
SbN9 | COD | 7106121 | P-1 (2) | ✔ | 20 | 100 | 1 | 2.5331 | 2.586 | 0.000 | (0;000) | ✗ | 02/02/17 |
Na2ZnO2 | ICSD | 404761 | P2_1/c (14) | ✔ | 20 | 168 | 2 | 1.5299 | 1.530 | 0.000 | (0;000) | ✗ | 02/02/17 |
Na2TiSiO5 | COD | 9011189 | P4/nmm (129) | ✔ | 18 | 128 | 2 | 3.217 | 3.424 | 0.000 | (0;000) | ✗ | 02/02/17 |
Na2SnTeO6 | ICSD | 89017 | P2_1/c (14) | ✔ | 20 | 148 | 3 | 1.5615 | 1.562 | 0.000 | (0;000) | ✗ | 02/02/17 |
Na2PS3 | ICSD | 426907 | C2/m (12) | ✔ | 12 | 82 | 1 | 2.7557 | 3.066 | 0.000 | (0;000) | ✗ | 02/02/17 |
Na2ZnS2 | ICSD | 33235 | Ibam (72) | ✔ | 10 | 84 | 1 | 2.4022 | 2.402 | 0.000 | (0;000) | ✗ | 02/02/17 |
Na2ZrSe3 | ICSD | 412158 | C2/m (12) | ✔ | 12 | 80 | 2 | 1.0681 | 1.371 | 0.000 | (0;000) | ✗ | 02/02/17 |
Na2SrSn4 | COD | 8103057 | C2/c (15) | ✔ | 14 | 168 | 1 | 0.0 | 0.036 | 0.351 | (0;000) | ✗ | 02/02/17 |
Na2S | COD | 2106220 | Pnma (62) | ✔ | 12 | 96 | 1 | 2.6588 | 2.659 | 0.000 | (0;000) | ✗ | 02/02/17 |