Plotting...
| ▹ Formula | ▹ Source | ▹ ID | ▴ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Si(CN2)2 | COD | 1526364 | Pn-3m (224) | ✔ | 14 | 64 | 3 | 4.2091 | 4.209 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Zr2O | ICSD | 77714 | Pn-3m (224) | ✔ | 6 | 28 | 3 | 0.0 | 0.000 | 0.564 | (0;111) | ✗ | 27/01/17 |
| Ti2H | ICSD | 168323 | Pn-3m (224) | ✔ | 6 | 50 | 3 | 0.0 | 0.000 | 0.818 | (1;000) | ✗ | 06/10/16 |
| Zn3P2 | COD | 1010126 | Pn-3m (224) | ✔ | 10 | 92 | 3 | 0.0 | 0.004 | 0.124 | (0;000) | ✗ | 27/01/17 |
| Bi2O3 | COD | 1010311 | Pn-3m (224) | ✔ | 10 | 96 | 3 | 0.0 | 0.003 | 0.667 | (1;000) | ✗ | 05/01/17 |
| CaC2 | COD | 1010500 | Pn-3m (224) | ✔ | 12 | 72 | 1 | 1.7564 | 2.259 | 0.000 | (0;000) | ✗ | 27/01/17 |
| CO2 | COD | 1010150 | Pn-3m (224) | ✔ | 12 | 64 | 3 | 1.7292 | 1.729 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Cd3P2 | COD | 1010127 | Pn-3m (224) | ✔ | 10 | 92 | 3 | 0.0 | 0.005 | 0.246 | (1;000) | ✗ | 02/02/17 |
| Cd3As2 | ICSD | 56167 | Pn-3m (224) | ✔ | 10 | 92 | 3 | 0.0 | 0.006 | 0.213 | (0;111) | ✗ | 30/01/17 |
| Mg3P2 | COD | 1011277 | Pn-3m (224) | ✔ | 10 | 80 | 1 | 1.0541 | 1.179 | 0.000 | (0;000) | ✗ | 02/02/17 |
| BeSiN2 | ICSD | 25704 | Pna2_1 (33) | ✗ | 16 | 72 | 3 | 5.07 | 5.226 | 0.000 | (0;000) | ✗ | 15/02/17 |
| H2CO2 | ICSD | 151248 | Pna2_1 (33) | ✗ | 20 | 72 | 1 | 4.7471 | 4.747 | 0.000 | (0;000) | ✗ | 15/02/17 |
| NaAlO2 | ICSD | 79404 | Pna2_1 (33) | ✗ | 16 | 96 | 3 | 3.9693 | 4.020 | 0.000 | (0;000) | ✗ | 15/02/17 |
| NbSbO4 | COD | 1530606 | Pna2_1 (33) | ✗ | 24 | 168 | 3 | 0.0 | 2.791 | 1.000 | ? | ✗ | 04/08/17 |
| KHgI3 | COD | 1529983 | Pna2_1 (33) | ✗ | 20 | 168 | 1 | 1.6841 | 1.684 | 0.000 | (0;000) | ✗ | 29/03/17 |
| MnSiN2 | COD | 1531000 | Pna2_1 (33) | ✗ | 16 | 116 | 3 | 0.0 | 0.001 | 0.438 | ? | ✗ | 15/02/17 |
| MgSiN2 | COD | 1520911 | Pna2_1 (33) | ✗ | 16 | 96 | 3 | 4.1594 | 4.589 | 0.000 | (0;000) | ✗ | 15/02/17 |
| GaCuO2 | COD | 4342352 | Pna2_1 (33) | ✗ | 16 | 144 | 3 | 0.0321 | 0.033 | 0.000 | (0;000) | ✔ | 11/04/17 |
| MnGeN2 | ICSD | 23528 | Pna2_1 (33) | ✗ | 16 | 116 | 3 | 0.0 | 0.001 | 0.427 | ? | ✗ | 15/02/17 |
| LiGaS2 | COD | 1531588 | Pna2_1 (33) | ✗ | 16 | 112 | 3 | 3.1472 | 3.147 | 0.000 | (0;000) | ✗ | 22/03/17 |
| AsF3 | ICSD | 35132 | Pna2_1 (33) | ✗ | 16 | 104 | 1 | 5.4269 | 5.517 | 0.000 | (0;000) | ✗ | 21/03/17 |
| RbGeBr3 | ICSD | 65244 | Pna2_1 (33) | ✗ | 20 | 136 | 1 | 1.7386 | 1.741 | 0.000 | (0;000) | ✗ | 21/03/17 |
| LiAlSe2 | COD | 4321118 | Pna2_1 (33) | ✗ | 16 | 72 | 3 | 3.1395 | 3.140 | 0.000 | (0;000) | ✗ | 16/03/17 |
| LiIO3 | COD | 1529780 | Pna2_1 (33) | ✗ | 20 | 112 | 1 | 2.9993 | 3.003 | 0.000 | (0;000) | ✗ | 29/03/17 |
| BiCl3 | ICSD | 2866 | Pna2_1 (33) | ✗ | 16 | 144 | 1 | 2.926 | 3.001 | 0.000 | (0;000) | ✗ | 21/03/17 |
| CuAsSe | ICSD | 610356 | Pna2_1 (33) | ✗ | 12 | 88 | 3 | 0.0 | 0.031 | 0.192 | (1;000) | ✔ | 21/03/17 |
| Zn2NCl | ICSD | 425734 | Pna2_1 (33) | ✗ | 16 | 144 | 3 | 2.0638 | 2.072 | 0.000 | (0;000) | ✗ | 22/03/17 |
| LiAlS2 | ICSD | 608360 | Pna2_1 (33) | ✗ | 16 | 72 | 3 | 3.9378 | 3.938 | 0.000 | (0;000) | ✗ | 16/03/17 |
| LiGaSe2 | COD | 1531591 | Pna2_1 (33) | ✗ | 16 | 112 | 3 | 2.2259 | 2.226 | 0.000 | (0;000) | ✗ | 22/03/17 |
| AlCuCl4 | COD | 4322713 | Pna2_1 (33) | ✗ | 24 | 168 | 3 | 2.5852 | 2.585 | 0.000 | (0;000) | ✗ | 04/08/17 |
| ZnGeN2 | COD | 1528213 | Pna2_1 (33) | ✗ | 16 | 104 | 3 | 1.8898 | 1.890 | 0.000 | (0;000) | ✗ | 15/02/17 |
| PbCN2 | COD | 2310547 | Pna2_1 (33) | ✗ | 16 | 112 | 2 | 1.6961 | 1.912 | 0.000 | (0;000) | ✗ | 22/03/17 |
| SiO2 | COD | 9006286 | Pna2_1 (33) | ✗ | 12 | 64 | 3 | 5.693 | 5.821 | 0.000 | (0;000) | ✗ | 15/02/17 |
| Zn2BrN | ICSD | 425736 | Pna2_1 (33) | ✗ | 16 | 144 | 3 | 1.9216 | 1.922 | 0.000 | (0;000) | ✗ | 21/03/17 |
| AlAgO2 | COD | 1509215 | Pna2_1 (33) | ✗ | 16 | 104 | 3 | 0.784 | 0.922 | 0.000 | (0;000) | ✗ | 16/03/17 |
| CuHgSI | ICSD | 413309 | Pna2_1 (33) | ✗ | 16 | 144 | 3 | 0.7199 | 0.720 | 0.000 | (0;000) | ✗ | 22/03/17 |
| NaFeO2 | ICSD | 186309 | Pna2_1 (33) | ✗ | 16 | 116 | 3 | 0.0 | 0.000 | 0.554 | ? | ✗ | 22/03/17 |
| MgGeN2 | ICSD | 636948 | Pna2_1 (33) | ✗ | 16 | 96 | 3 | 2.9643 | 3.177 | 0.000 | (0;000) | ✗ | 15/02/17 |
| ZnSiN2 | ICSD | 656276 | Pna2_1 (33) | ✗ | 16 | 104 | 3 | 3.0312 | 3.502 | 0.000 | (0;000) | ✗ | 15/02/17 |
| LiInS2 | COD | 1508502 | Pna2_1 (33) | ✗ | 16 | 112 | 3 | 2.3606 | 2.361 | 0.000 | (0;000) | ✗ | 29/03/17 |
| TiCdO3 | COD | 2310616 | Pna2_1 (33) | ✗ | 20 | 168 | 3 | 1.9899 | 1.990 | 0.000 | (0;000) | ✗ | 22/03/17 |
| CdP2 | ICSD | 42732 | Pna2_1 (33) | ✗ | 12 | 88 | 3 | 1.4322 | 1.723 | 0.000 | (0;000) | ✗ | 22/03/17 |
| NaGaO2 | ICSD | 36652 | Pna2_1 (33) | ✗ | 16 | 136 | 3 | 3.0736 | 3.074 | 0.000 | (0;000) | ✗ | 22/03/17 |
| ZnCl2 | COD | 4343817 | Pna2_1 (33) | ✗ | 12 | 104 | 3 | 3.8314 | 3.832 | 0.000 | (0;000) | ✗ | 22/03/17 |
| YScS3 | ICSD | 23422 | Pna2_1 (33) | ✗ | 20 | 160 | 3 | 1.7558 | 1.858 | 0.000 | (0;000) | ✗ | 29/03/17 |
| Sc2S3 | ICSD | 650835 | Pna2_1 (33) | ✗ | 20 | 160 | 3 | 1.381 | 1.543 | 0.000 | (0;000) | ✗ | 29/03/17 |
| NaIO3 | COD | 1530808 | Pna2_1 (33) | ✗ | 20 | 136 | 1 | 2.1927 | 2.211 | 0.000 | (0;000) | ✗ | 29/03/17 |
| InAgS2 | COD | 1509403 | Pna2_1 (33) | ✗ | 16 | 144 | 3 | 0.7495 | 0.751 | 0.000 | (0;000) | ✗ | 16/03/17 |
| AgAsS | ICSD | 604740 | Pna2_1 (33) | ✗ | 12 | 88 | 3 | 0.0 | 0.029 | 0.147 | (1;000) | ✔ | 26/04/17 |
| AgAsSe | ICSD | 604753 | Pna2_1 (33) | ✗ | 12 | 88 | 3 | 0.0 | 0.017 | 0.318 | (0;000) | ✔ | 13/04/17 |
| LiInSe2 | ICSD | 639900 | Pna2_1 (33) | ✗ | 16 | 112 | 3 | 1.9573 | 1.958 | 0.000 | (0;000) | ✗ | 29/03/17 |
| LiGaO2 | COD | 1526802 | Pna2_1 (33) | ✗ | 16 | 112 | 3 | 3.4861 | 3.487 | 0.000 | (0;000) | ✗ | 15/02/17 |
| NaFeO2 | COD | 1009034 | Pna2_1 (33) | ✗ | 16 | 116 | 3 | 0.0 | 0.002 | 0.324 | (0;101) | ✔ | 11/04/17 |
| PCl3O | COD | 2106202 | Pna2_1 (33) | ✗ | 20 | 128 | 1 | 4.6695 | 4.670 | 0.000 | (0;000) | ✗ | 22/03/17 |
| Br2O | ICSD | 50198 | Pna2_1 (33) | ✗ | 12 | 80 | 2 | 1.0922 | 1.294 | 0.000 | (0;000) | ✗ | 21/03/17 |
| CuTeAs | ICSD | 610367 | Pna2_1 (33) | ✗ | 12 | 88 | 3 | 0.0 | 0.014 | 0.239 | (0;000) | ✔ | 26/04/17 |
| LiP5 | ICSD | 88710 | Pna2_1 (33) | ✗ | 24 | 112 | 1 | 1.2082 | 1.218 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Bi2O3 | ICSD | 168815 | Pnab (60) | ✔ | 20 | 112 | 3 | 1.6331 | 1.633 | 0.000 | (0;000) | ✗ | 06/10/16 |
| BiI3 | ICSD | 187611 | Pnam (62) | ✔ | 16 | 104 | 3 | 0.0 | 0.026 | 0.642 | (0;000) | ✗ | 06/10/16 |
| HgSO4 | ICSD | 31870 | Pnm2_1 (31) | ✗ | 12 | 84 | 3 | 1.2801 | 1.709 | 0.000 | (0;000) | ✗ | 06/10/16 |
| HgSeO4 | ICSD | 412403 | Pnm2_1 (31) | ✗ | 12 | 84 | 3 | 1.0293 | 1.345 | 0.000 | (0;000) | ✗ | 06/10/16 |
| NaNbO2F | ICSD | 38636 | Pnma (62) | ✔ | 20 | 164 | 3 | 0.0 | 0.000 | 0.741 | (0;110) | ✗ | 02/02/17 |
| GeS | COD | 9008784 | Pnma (62) | ✔ | 8 | 40 | 2 | 0.9053 | 1.017 | 0.000 | (0;000) | ✗ | 27/01/17 |
| GeSe | COD | 1528768 | Pnma (62) | ✔ | 8 | 40 | 2 | 0.5998 | 0.700 | 0.000 | (0;000) | ✗ | 27/01/17 |
| HfSiPd | COD | 1522279 | Pnma (62) | ✔ | 12 | 136 | 3 | 0.0 | 0.035 | 0.132 | (1;000) | ✗ | 27/01/17 |
| HgO | COD | 9012530 | Pnma (62) | ✔ | 8 | 72 | 3 | 1.1689 | 1.576 | 0.000 | (0;000) | ✗ | 27/01/17 |
| NbNiP | ICSD | 645088 | Pnma (62) | ✔ | 12 | 112 | 3 | 0.0 | 0.013 | 0.279 | (0;000) | ✗ | 27/01/17 |
| YSeF | ICSD | 2635 | Pnma (62) | ✔ | 12 | 96 | 3 | 0.0 | 0.002 | 0.018 | (1;000) | ✗ | 02/02/17 |
| NbSiIr | ICSD | 411882 | Pnma (62) | ✔ | 12 | 136 | 3 | 0.0 | 0.034 | 0.117 | (0;000) | ✗ | 27/01/17 |
| YAlAu | ICSD | 602610 | Pnma (62) | ✔ | 12 | 100 | 3 | 0.0 | 0.002 | 0.848 | (0;011) | ✗ | 30/01/17 |
| SrH2 | ICSD | 155988 | Pnma (62) | ✔ | 12 | 48 | 1 | 3.1611 | 3.845 | 0.000 | (0;000) | ✗ | 27/01/17 |
| CdGeO3 | COD | 9005881 | Pnma (62) | ✔ | 20 | 136 | 3 | 1.2811 | 1.281 | 0.000 | (0;000) | ✗ | 02/02/17 |
| MgAlSi | ICSD | 153548 | Pnma (62) | ✔ | 12 | 68 | 3 | 0.0 | 0.000 | 0.549 | (0;011) | ✗ | 30/01/17 |
| HfVP | ICSD | 656389 | Pnma (62) | ✔ | 12 | 120 | 3 | 0.0 | 0.008 | 0.370 | (0;000) | ✗ | 27/01/17 |
| CrCoP | ICSD | 622489 | Pnma (62) | ✔ | 12 | 144 | 3 | 0.0 | 0.007 | 0.223 | (0;000) | ✗ | 27/01/17 |
| SnTe | ICSD | 652743 | Pnma (62) | ✔ | 8 | 80 | 2 | 0.1727 | 0.276 | 0.000 | (0;000) | ✗ | 02/02/17 |
| SbRh | COD | 9009911 | Pnma (62) | ✔ | 8 | 88 | 3 | 0.0 | 0.054 | 0.328 | (0;000) | ✗ | 27/01/17 |
| HfO2 | ICSD | 83863 | Pnma (62) | ✔ | 12 | 96 | 3 | 3.3241 | 3.324 | 0.000 | (0;000) | ✗ | 27/01/17 |
| ZrPRu | ICSD | 648038 | Pnma (62) | ✔ | 12 | 100 | 3 | 0.0 | 0.000 | 0.602 | (1;011) | ✗ | 27/01/17 |
| HfSiNi | ICSD | 638723 | Pnma (62) | ✔ | 12 | 104 | 3 | 0.0 | 0.016 | 0.090 | (1;000) | ✗ | 27/01/17 |
| BiSeCl | ICSD | 40862 | Pnma (62) | ✔ | 12 | 112 | 1 | 1.2742 | 1.277 | 0.000 | (0;000) | ✗ | 02/02/17 |
| BiSeBr | ICSD | 76649 | Pnma (62) | ✔ | 12 | 112 | 1 | 0.595 | 0.788 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Ba3GeO | ICSD | 50512 | Pnma (62) | ✔ | 20 | 160 | 1 | 0.0982 | 0.098 | 0.000 | (0;000) | ✗ | 02/02/17 |
| BiSBr | ICSD | 31389 | Pnma (62) | ✔ | 12 | 112 | 1 | 1.4144 | 1.467 | 0.000 | (0;000) | ✗ | 02/02/17 |
| HfNiP | ICSD | 638712 | Pnma (62) | ✔ | 12 | 108 | 3 | 0.0 | 0.001 | 0.313 | (0;011) | ✗ | 27/01/17 |
| VNiGe | ICSD | 637435 | Pnma (62) | ✔ | 12 | 108 | 3 | 0.0 | 0.000 | 0.349 | (1;011) | ✗ | 27/01/17 |
| CdBiS2Cl | ICSD | 171724 | Pnma (62) | ✔ | 20 | 184 | 3 | 1.5239 | 1.525 | 0.000 | (0;000) | ✗ | 02/02/17 |
| LiCaBi | ICSD | 616539 | Pnma (62) | ✔ | 12 | 112 | 1 | 0.0 | 0.016 | 0.004 | (1;000) | ✗ | 02/02/17 |
| ScSiRh | ICSD | 79596 | Pnma (62) | ✔ | 12 | 128 | 3 | 0.0 | 0.028 | 0.421 | (0;000) | ✗ | 27/01/17 |
| Li2S | COD | 1526194 | Pnma (62) | ✔ | 12 | 48 | 2 | 3.8559 | 4.113 | 0.000 | (0;000) | ✗ | 27/01/17 |
| HfMnSi | ICSD | 53024 | Pnma (62) | ✔ | 12 | 124 | 3 | 0.0 | 0.001 | 0.695 | (1;011) | ✗ | 27/01/17 |
| BaHfS3 | ICSD | 615918 | Pnma (62) | ✔ | 20 | 160 | 3 | 1.2402 | 1.240 | 0.000 | (0;000) | ✗ | 02/02/17 |
| BaSnS3 | ICSD | 616071 | Pnma (62) | ✔ | 20 | 168 | 2 | 0.9252 | 1.180 | 0.000 | (0;000) | ✗ | 02/02/17 |
| BaI2 | COD | 1527184 | Pnma (62) | ✔ | 12 | 96 | 1 | 2.9738 | 2.974 | 0.000 | (0;000) | ✗ | 02/02/17 |
| BaSO2 | COD | 1524206 | Pnma (62) | ✔ | 16 | 112 | 1 | 0.999 | 1.033 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Li(CuO)2 | ICSD | 71683 | Pnma (62) | ✔ | 20 | 148 | 3 | 0.0 | 0.000 | 0.909 | (1;011) | ✗ | 02/02/17 |
| SiRh | ICSD | 650306 | Pnma (62) | ✔ | 8 | 84 | 3 | 0.0 | 0.001 | 0.174 | (0;011) | ✗ | 27/01/17 |
| BiSCl | COD | 8103601 | Pnma (62) | ✔ | 12 | 112 | 1 | 1.2731 | 1.362 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CBr3F | ICSD | 72370 | Pnma (62) | ✔ | 20 | 128 | 1 | 3.4942 | 3.524 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Co2Si | COD | 9009209 | Pnma (62) | ✔ | 12 | 152 | 3 | 0.0 | 0.009 | 0.188 | (0;000) | ✗ | 27/01/17 |