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| ▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▴ ν | wcc | ▹ updated |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| K4CO4 | ICSD | 245425 | I-4 (82) | ✗ | 9 | 64 | 3 | 3.5033 | 3.565 | 0.000 | (0;000) | ✗ | 06/10/16 |
| K4CO4 | ICSD | 245426 | Cm (8) | ✗ | 9 | 64 | 3 | 2.9078 | 3.076 | 0.000 | (0;000) | ✗ | 06/10/16 |
| K4CO4 | ICSD | 245427 | R3 (146) | ✗ | 9 | 64 | 3 | 1.8687 | 2.055 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Li4CO4 | ICSD | 245388 | P-43m (215) | ✗ | 9 | 40 | 1 | 4.7041 | 5.033 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Li4CO4 | ICSD | 245389 | R3m (160) | ✗ | 9 | 40 | 1 | 1.9001 | 1.995 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Li4CO4 | ICSD | 245392 | Cm (8) | ✗ | 9 | 40 | 2 | 4.4214 | 4.983 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Na3SbS4 | ICSD | 44707 | I-43m (217) | ✗ | 8 | 56 | 1 | 2.1628 | 2.190 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Li4CO4 | ICSD | 245405 | C2 (5) | ✗ | 9 | 40 | 1 | 6.7435 | 6.759 | 0.000 | (0;000) | ✗ | 06/10/16 |
| MgCO3 | ICSD | 161821 | C222_1 (20) | ✗ | 10 | 64 | 3 | 6.3279 | 7.357 | 0.000 | (0;000) | ✗ | 06/10/16 |
| MgCO3 | ICSD | 180346 | R-3c (167) | ✔ | 10 | 64 | 3 | 5.0198 | 5.730 | 0.000 | (0;000) | ✗ | 06/10/16 |
| MgCO3 | ICSD | 180347 | R-3c (167) | ✔ | 10 | 64 | 3 | 5.1369 | 5.732 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Na4CO4 | ICSD | 245406 | P-43m (215) | ✗ | 9 | 64 | 1 | 2.7579 | 3.161 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Na4CO4 | ICSD | 245407 | R3m (160) | ✗ | 9 | 64 | 2 | 1.9626 | 2.362 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Na4CO4 | ICSD | 245411 | C2 (5) | ✗ | 9 | 64 | 2 | 2.5966 | 2.872 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Na4CO4 | ICSD | 245412 | R3 (146) | ✗ | 9 | 64 | 1 | 3.325 | 3.663 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Na4CO4 | ICSD | 245413 | Cm (8) | ✗ | 9 | 64 | 1 | 3.3773 | 3.693 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Na4CO4 | ICSD | 245414 | Cm (8) | ✗ | 9 | 64 | 2 | 3.6393 | 3.918 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Na4CO4 | ICSD | 245415 | R3 (146) | ✗ | 9 | 64 | 3 | 2.8246 | 3.273 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Na4CO4 | ICSD | 245416 | R3 (146) | ✗ | 9 | 64 | 3 | 0.4066 | 0.800 | 0.000 | (0;000) | ✔ | 06/10/16 |
| CSO | ICSD | 33540 | R3m (160) | ✗ | 3 | 16 | 1 | 4.804 | 4.970 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Rb4CO4 | ICSD | 245429 | P-43m (215) | ✗ | 9 | 64 | 3 | 2.4483 | 2.448 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Rb4CO4 | ICSD | 245430 | R3m (160) | ✗ | 9 | 64 | 1 | 0.472 | 0.532 | 0.000 | (0;000) | ✔ | 06/10/16 |
| NbTl3S4 | ICSD | 600246 | I-43m (217) | ✗ | 8 | 76 | 3 | 1.8349 | 1.969 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Rb4CO4 | ICSD | 245434 | C2 (5) | ✗ | 9 | 64 | 1 | 1.1845 | 1.310 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Rb4CO4 | ICSD | 245436 | Cm (8) | ✗ | 9 | 64 | 3 | 1.2935 | 1.339 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Rb4CO4 | ICSD | 245437 | R3 (146) | ✗ | 9 | 64 | 3 | 2.8509 | 2.870 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Rb4CO4 | ICSD | 245438 | Cm (8) | ✗ | 9 | 64 | 3 | 1.4937 | 1.585 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Rb4CO4 | ICSD | 245439 | I222 (23) | ✗ | 9 | 64 | 3 | 2.2513 | 2.375 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Rb4CO4 | ICSD | 245440 | P-4 (81) | ✗ | 9 | 64 | 3 | 0.3459 | 0.577 | 0.000 | (0;000) | ✔ | 06/10/16 |
| NbCu3S4 | ICSD | 628472 | P-43m (215) | ✗ | 8 | 70 | 3 | 1.6338 | 2.075 | 0.000 | (0;000) | ✗ | 06/10/16 |
| CaGa | ICSD | 260641 | Ccmm (63) | ✔ | 4 | 46 | 1 | 0.0 | 0.000 | 0.830 | (0;000) | ✗ | 06/10/16 |
| Rb4CO4 | ICSD | 245444 | C2 (5) | ✗ | 9 | 64 | 3 | 0.2272 | 0.227 | 0.000 | (0;000) | ✔ | 06/10/16 |
| LiAgC2 | ICSD | 410868 | P-6m2 (187) | ✗ | 4 | 22 | 1 | 1.2334 | 2.032 | 0.000 | (0;000) | ✗ | 06/10/16 |
| LiAuC2 | ICSD | 411253 | P-6m2 (187) | ✗ | 4 | 22 | 1 | 1.3575 | 1.469 | 0.000 | (0;000) | ✗ | 06/10/16 |
| BC2N | ICSD | 191797 | Pmm2 (25) | ✗ | 4 | 16 | 3 | 2.0673 | 2.222 | 0.000 | (0;000) | ✗ | 06/10/16 |
| BC2N | ICSD | 191798 | P22_12 (17) | ✗ | 8 | 32 | 3 | 2.4617 | 2.462 | 0.000 | (0;000) | ✗ | 06/10/16 |
| BC2N | ICSD | 191799 | P-4m2 (115) | ✗ | 4 | 16 | 3 | 1.4495 | 2.182 | 0.000 | (0;000) | ✗ | 06/10/16 |
| BC2N | ICSD | 191800 | Cm (8) | ✗ | 8 | 32 | 3 | 1.1686 | 1.169 | 0.000 | (0;000) | ✗ | 06/10/16 |
| BC2N | ICSD | 191801 | Cm (8) | ✗ | 8 | 32 | 3 | 0.2449 | 0.355 | 0.000 | (0;000) | ✔ | 06/10/16 |
| BC2N | ICSD | 191802 | P1 (1) | ✗ | 8 | 32 | 3 | 0.1899 | 0.191 | 0.000 | (0;000) | ✔ | 06/10/16 |
| Cu2GeS3 | ICSD | 85138 | Cc (9) | ✗ | 12 | 88 | 3 | 0.3087 | 0.312 | 0.000 | (0;000) | ✔ | 05/12/16 |
| BC2N | ICSD | 93040 | P2_122 (17) | ✗ | 8 | 32 | 3 | 1.9946 | 1.995 | 0.000 | (0;000) | ✗ | 06/10/16 |
| BC2N | ICSD | 93041 | Pmm2 (25) | ✗ | 4 | 16 | 3 | 1.7669 | 1.967 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Cd(CN)2 | ICSD | 20748 | P-43m (215) | ✗ | 10 | 60 | 3 | 6.5073 | 6.601 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Cd(CN)2 | ICSD | 66938 | P-43m (215) | ✗ | 10 | 60 | 3 | 5.9885 | 6.081 | 0.000 | (0;000) | ✗ | 06/10/16 |
| CuSe2 | ICSD | 242 | Pmnn (58) | ✔ | 6 | 46 | 3 | 0.0 | 0.000 | 0.939 | (0;000) | ✗ | 06/10/16 |
| CaC2 | ICSD | 74665 | I4/mmm (139) | ✔ | 3 | 18 | 1 | 1.6401 | 2.615 | 0.000 | (0;000) | ✗ | 06/10/16 |
| CaC2 | ICSD | 66663 | P-1 (2) | ✔ | 6 | 36 | 1 | 2.4633 | 3.084 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Zn(CN)2 | ICSD | 22392 | P-43m (215) | ✗ | 10 | 60 | 3 | 6.8701 | 7.033 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Zn(CN)2 | ICSD | 66937 | P-43m (215) | ✗ | 10 | 60 | 3 | 6.0028 | 6.146 | 0.000 | (0;000) | ✗ | 06/10/16 |
| RhBr3 | ICSD | 28245 | C2/m (12) | ✔ | 8 | 76 | 2 | 1.23 | 1.361 | 0.000 | (0;000) | ✗ | 02/02/17 |
| VCu3S4 | ICSD | 183993 | P-43m (215) | ✗ | 8 | 70 | 3 | 0.9913 | 1.332 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Al6C3N2 | ICSD | 654993 | R3m (160) | ✗ | 11 | 40 | 3 | 0.0 | 0.000 | 0.475 | (0;000) | ✔ | 06/10/16 |
| Zr2Al4C5 | ICSD | 173676 | R3m (160) | ✗ | 11 | 40 | 3 | 0.0 | 0.014 | 0.496 | (0;000) | ✔ | 06/10/16 |
| LiNbO3 | ICSD | 167130 | R3c (161) | ✗ | 10 | 68 | 3 | 3.0567 | 3.070 | 0.000 | (0;000) | ✗ | 06/10/16 |
| LiNbO3 | ICSD | 169695 | R3c (161) | ✗ | 10 | 68 | 3 | 3.429 | 3.550 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Ca3ZnSe4 | ICSD | 167833 | P-43m (215) | ✗ | 8 | 66 | 1 | 1.9339 | 2.000 | 0.000 | (0;000) | ✗ | 06/10/16 |
| BeO | COD | 1011325 | Fm-3m (225) | ✔ | 2 | 10 | 1 | 6.5102 | 6.607 | 0.000 | (0;000) | ✗ | 05/01/17 |
| CO | ICSD | 26962 | P2_13 (198) | ✗ | 8 | 40 | 1 | 6.4576 | 6.458 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Ca(GePt)2 | ICSD | 619327 | P2_1 (4) | ✗ | 10 | 76 | 3 | 0.0 | 0.126 | 0.862 | (0;000) | ✔ | 05/12/16 |
| CaSnHg | ICSD | 602726 | P6_3mc (186) | ✗ | 6 | 72 | 3 | 0.0 | 0.049 | 0.221 | (0;000) | ✔ | 28/10/16 |
| Ge2N2O | ICSD | 200843 | Cmc2_1 (36) | ✗ | 10 | 48 | 3 | 2.9558 | 3.277 | 0.000 | (0;000) | ✗ | 06/10/16 |
| CaC2 | ICSD | 290834 | Cmcm (63) | ✔ | 6 | 36 | 1 | 0.0 | 0.051 | 0.065 | (0;000) | ✗ | 06/10/16 |
| CSe2 | ICSD | 60374 | Cmce (64) | ✔ | 6 | 32 | 1 | 1.8396 | 2.057 | 0.000 | (0;000) | ✗ | 27/01/17 |
| CO2 | ICSD | 188890 | I-42d (122) | ✗ | 6 | 32 | 3 | 7.0217 | 7.119 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Ge2N2O | ICSD | 200847 | Cmc2_1 (36) | ✗ | 10 | 48 | 3 | 2.7469 | 3.045 | 0.000 | (0;000) | ✗ | 06/10/16 |
| CaSiPt | ICSD | 72640 | P2_13 (198) | ✗ | 12 | 96 | 3 | 0.0 | 0.000 | 0.533 | (0;000) | ✔ | 05/12/16 |
| CaZnSn | ICSD | 106358 | P6_3mc (186) | ✗ | 6 | 72 | 3 | 0.0 | 0.030 | 0.241 | (0;000) | ✔ | 06/10/16 |
| CsN | ICSD | 29106 | Pm-3m (221) | ✔ | 2 | 14 | 1 | 0.0 | 0.000 | 0.697 | (0;000) | ✗ | 27/01/17 |
| Ca2CdP2 | ICSD | 422580 | Ccm2_1 (36) | ✗ | 10 | 84 | 1 | 1.2799 | 1.290 | 0.000 | (0;000) | ✗ | 06/10/16 |
| IrBr3 | ICSD | 14212 | C2/m (12) | ✔ | 8 | 60 | 2 | 1.4173 | 1.460 | 0.000 | (0;000) | ✗ | 06/10/16 |
| CS2 | ICSD | 15672 | Cmce (64) | ✔ | 6 | 32 | 1 | 0.3788 | 0.877 | 0.000 | (0;000) | ✗ | 06/10/16 |
| PtC | ICSD | 181345 | Fm-3m (225) | ✔ | 2 | 14 | 3 | 0.0 | 0.168 | 0.273 | (0;000) | ✗ | 06/10/16 |
| IrN | ICSD | 167880 | F-43m (216) | ✗ | 2 | 14 | 3 | 0.0 | 0.146 | 0.582 | (0;000) | ✔ | 06/10/16 |
| Zn3CdS4 | ICSD | 168376 | P-43m (215) | ✗ | 8 | 72 | 3 | 1.7167 | 1.717 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Zn3CdS4 | ICSD | 169185 | P-43m (215) | ✗ | 8 | 72 | 3 | 1.8744 | 1.874 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Zn3CdSe4 | ICSD | 188388 | P-43m (215) | ✗ | 8 | 72 | 3 | 0.6307 | 0.631 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Cd(GaTe2)2 | ICSD | 603660 | I-4 (82) | ✗ | 7 | 62 | 3 | 0.9356 | 0.936 | 0.000 | (0;000) | ✗ | 06/10/16 |
| CrCd3Te4 | ICSD | 181053 | P-43m (215) | ✗ | 8 | 74 | 3 | 0.0 | 0.032 | 0.067 | (0;000) | ✔ | 06/10/16 |
| ZnCd3S4 | ICSD | 168374 | P-43m (215) | ✗ | 8 | 72 | 3 | 1.2943 | 1.294 | 0.000 | (0;000) | ✗ | 06/10/16 |
| ZnCd3S4 | ICSD | 169187 | P-43m (215) | ✗ | 8 | 72 | 3 | 1.364 | 1.364 | 0.000 | (0;000) | ✗ | 06/10/16 |
| ZnCd3Se4 | ICSD | 188386 | P-43m (215) | ✗ | 8 | 72 | 3 | 0.425 | 0.425 | 0.000 | (0;000) | ✔ | 06/10/16 |
| NaCdF3 | ICSD | 163866 | R3c (161) | ✗ | 10 | 84 | 3 | 3.4133 | 3.413 | 0.000 | (0;000) | ✗ | 06/10/16 |
| NaCdF3 | ICSD | 163867 | R3c (161) | ✗ | 10 | 84 | 3 | 3.449 | 3.449 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Cd(GaS2)2 | ICSD | 106362 | I-4 (82) | ✗ | 7 | 62 | 3 | 2.0324 | 2.034 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Cd(GaS2)2 | ICSD | 184995 | I-4 (82) | ✗ | 7 | 62 | 3 | 2.0642 | 2.066 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Cd(GaS2)2 | ICSD | 2286 | I-4 (82) | ✗ | 7 | 62 | 3 | 1.628 | 1.628 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Cd(GaS2)2 | ICSD | 25642 | I-4 (82) | ✗ | 7 | 62 | 3 | 2.1289 | 2.129 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Cd(GaS2)2 | ICSD | 31354 | I-4 (82) | ✗ | 7 | 62 | 3 | 2.0248 | 2.027 | 0.000 | (0;000) | ✗ | 06/10/16 |
| BePd2 | ICSD | 107609 | I4/mmm (139) | ✔ | 3 | 40 | 3 | 0.0 | 0.020 | 0.675 | (0;000) | ✗ | 05/01/17 |
| Cd(GaS2)2 | ICSD | 52801 | I-4 (82) | ✗ | 7 | 62 | 3 | 2.2641 | 2.264 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Cd(GaS2)2 | ICSD | 619872 | I-4 (82) | ✗ | 7 | 62 | 3 | 1.2052 | 1.205 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Cd(GaS2)2 | ICSD | 619873 | I-4 (82) | ✗ | 7 | 62 | 3 | 2.337 | 2.338 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Cd(GaS2)2 | ICSD | 619875 | I-4 (82) | ✗ | 7 | 62 | 3 | 2.0132 | 2.015 | 0.000 | (0;000) | ✗ | 06/10/16 |
| GaAs | ICSD | 107946 | F-43m (216) | ✗ | 2 | 18 | 3 | 0.4268 | 0.427 | 0.000 | (0;000) | ✔ | 06/10/16 |
| Si2N2O | ICSD | 98639 | Cmc2_1 (36) | ✗ | 10 | 48 | 3 | 4.9363 | 4.936 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Cd(GaSe2)2 | ICSD | 184996 | I-4 (82) | ✗ | 7 | 62 | 3 | 1.3585 | 1.359 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Cd(GaSe2)2 | ICSD | 2287 | I-4 (82) | ✗ | 7 | 62 | 3 | 1.0358 | 1.036 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Cd(GaSe2)2 | ICSD | 25644 | I-4 (82) | ✗ | 7 | 62 | 3 | 1.3929 | 1.393 | 0.000 | (0;000) | ✗ | 06/10/16 |
| CO2 | ICSD | 110776 | Pnnm (58) | ✔ | 6 | 32 | 1 | 2.2578 | 3.149 | 0.000 | (0;000) | ✗ | 06/10/16 |