Plotting...
| ▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▴ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| PH4Br | ICSD | 23691 | P4/nmm (129) | ✔ | 12 | 32 | 1 | 3.9308 | 4.105 | 0.000 | (0;000) | ✗ | 27/01/17 |
| H4BrN | ICSD | 27724 | P4/nmm (129) | ✔ | 12 | 32 | 1 | 3.0741 | 3.074 | 0.000 | (0;000) | ✗ | 27/01/17 |
| BaSi3Pt | ICSD | 174267 | I4mm (107) | ✗ | 5 | 32 | 3 | 0.0 | 0.002 | 0.442 | (0;001) | ✔ | 07/10/16 |
| BaO | COD | 1527735 | P4/nmm (129) | ✔ | 4 | 32 | 3 | 1.9651 | 1.965 | 0.000 | (0;000) | ✗ | 05/01/17 |
| Na2CN2 | ICSD | 411341 | C2/m (12) | ✔ | 5 | 32 | 1 | 3.074 | 3.258 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Rb3Bi | ICSD | 58849 | Fm-3m (225) | ✔ | 4 | 32 | 1 | 0.0 | 0.000 | 0.038 | (1;000) | ✗ | 06/10/16 |
| BaO | ICSD | 173921 | P6_3/mmc (194) | ✔ | 4 | 32 | 1 | 2.2677 | 2.285 | 0.000 | (0;000) | ✗ | 05/01/17 |
| YSi3Ir | ICSD | 641038 | I4mm (107) | ✗ | 5 | 32 | 3 | 0.0 | 0.025 | 0.356 | (0;111) | ✔ | 07/10/16 |
| BC2N | ICSD | 191801 | Cm (8) | ✗ | 8 | 32 | 3 | 0.2449 | 0.355 | 0.000 | (0;000) | ✔ | 06/10/16 |
| BPS4 | ICSD | 24618 | I222 (23) | ✗ | 6 | 32 | 1 | 1.1178 | 1.383 | 0.000 | (0;000) | ✗ | 06/10/16 |
| BPO4 | ICSD | 55083 | I-4 (82) | ✗ | 6 | 32 | 3 | 7.6318 | 7.848 | 0.000 | (0;000) | ✗ | 06/10/16 |
| BPO4 | ICSD | 55082 | I-4 (82) | ✗ | 6 | 32 | 3 | 7.5989 | 7.822 | 0.000 | (0;000) | ✗ | 06/10/16 |
| BPO4 | ICSD | 413437 | I-4 (82) | ✗ | 6 | 32 | 3 | 7.731 | 7.958 | 0.000 | (0;000) | ✗ | 06/10/16 |
| BPO4 | ICSD | 26890 | I-4 (82) | ✗ | 6 | 32 | 3 | 7.4923 | 7.703 | 0.000 | (0;000) | ✗ | 06/10/16 |
| BPO4 | ICSD | 150380 | I-4 (82) | ✗ | 6 | 32 | 3 | 7.6841 | 7.769 | 0.000 | (0;000) | ✗ | 06/10/16 |
| BPO4 | ICSD | 150379 | I-4 (82) | ✗ | 6 | 32 | 3 | 7.6826 | 7.789 | 0.000 | (0;000) | ✗ | 06/10/16 |
| BaZrO3 | COD | 1532743 | Pm-3m (221) | ✔ | 5 | 32 | 3 | 2.7993 | 2.799 | 0.000 | (0;000) | ✗ | 05/01/17 |
| BPO4 | ICSD | 150378 | I-4 (82) | ✗ | 6 | 32 | 3 | 7.6596 | 7.782 | 0.000 | (0;000) | ✗ | 06/10/16 |
| BPO4 | ICSD | 150377 | I-4 (82) | ✗ | 6 | 32 | 3 | 7.7013 | 7.833 | 0.000 | (0;000) | ✗ | 06/10/16 |
| BPO4 | ICSD | 150376 | I-4 (82) | ✗ | 6 | 32 | 3 | 7.6811 | 7.826 | 0.000 | (0;000) | ✗ | 06/10/16 |
| BPO4 | ICSD | 150375 | I-4 (82) | ✗ | 6 | 32 | 3 | 7.6708 | 7.835 | 0.000 | (0;000) | ✗ | 06/10/16 |
| BPO4 | ICSD | 150374 | I-4 (82) | ✗ | 6 | 32 | 3 | 7.6752 | 7.855 | 0.000 | (0;000) | ✗ | 06/10/16 |
| BPO4 | ICSD | 150373 | I-4 (82) | ✗ | 6 | 32 | 3 | 7.6292 | 7.819 | 0.000 | (0;000) | ✗ | 06/10/16 |
| BPO4 | ICSD | 150372 | I-4 (82) | ✗ | 6 | 32 | 3 | 7.6086 | 7.820 | 0.000 | (0;000) | ✗ | 06/10/16 |
| BPO4 | ICSD | 150371 | I-4 (82) | ✗ | 6 | 32 | 3 | 7.5837 | 7.792 | 0.000 | (0;000) | ✗ | 06/10/16 |
| GeSe2 | ICSD | 90956 | I-4 (82) | ✗ | 6 | 32 | 3 | 0.9941 | 1.393 | 0.000 | (0;000) | ✗ | 06/10/16 |
| RbYO2 | ICSD | 49651 | R-3m (166) | ✔ | 4 | 32 | 3 | 3.6441 | 3.794 | 0.000 | (0;000) | ✗ | 27/01/17 |
| C | COD | 9012238 | Ia3 (206) | ✔ | 8 | 32 | 3 | 3.4586 | 3.459 | 0.000 | (0;000) | ✗ | 27/01/17 |
| GeSe2 | ICSD | 50761 | I-42d (122) | ✗ | 6 | 32 | 3 | 1.4346 | 1.788 | 0.000 | (0;000) | ✗ | 06/10/16 |
| GeS2 | ICSD | 167194 | I-42d (122) | ✗ | 6 | 32 | 3 | 2.3808 | 2.735 | 0.000 | (0;000) | ✗ | 06/10/16 |
| KNO3 | ICSD | 384 | R3m (160) | ✗ | 5 | 32 | 1 | 1.7583 | 1.758 | 0.000 | (0;000) | ✗ | 06/10/16 |
| SrGe3Pt | ICSD | 168863 | I4mm (107) | ✗ | 5 | 32 | 3 | 0.0 | 0.011 | 0.394 | (1;000) | ✔ | 07/10/16 |
| CSe2 | ICSD | 60374 | Cmce (64) | ✔ | 6 | 32 | 1 | 1.8396 | 2.057 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Li2CdPb | COD | 1525238 | Fm-3m (225) | ✔ | 4 | 32 | 3 | 0.0 | 0.000 | 0.584 | (0;000) | ✗ | 27/01/17 |
| KAuO2 | COD | 1510202 | Pmmm (47) | ✔ | 4 | 32 | 1 | 1.0493 | 1.524 | 0.000 | (0;000) | ✗ | 05/01/17 |
| KNO3 | ICSD | 71398 | R3m (160) | ✗ | 5 | 32 | 1 | 3.3139 | 3.314 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Li2CdSn | ICSD | 108223 | Fm-3m (225) | ✔ | 4 | 32 | 3 | 0.0 | 0.000 | 0.546 | (0;000) | ✗ | 27/01/17 |
| KNO3 | ICSD | 260602 | R3m (160) | ✗ | 5 | 32 | 1 | 3.0852 | 3.085 | 0.000 | (0;000) | ✗ | 06/10/16 |
| HfBe | ICSD | 616286 | Cmcm (63) | ✔ | 4 | 32 | 3 | 0.0 | 0.043 | 0.661 | (0;000) | ✗ | 05/01/17 |
| SrGe3Pd | ICSD | 168862 | I4mm (107) | ✗ | 5 | 32 | 3 | 0.0 | 0.031 | 0.400 | (0;111) | ✔ | 07/10/16 |
| SrHfN2 | ICSD | 82538 | R-3m (166) | ✔ | 4 | 32 | 2 | 0.3566 | 0.857 | 0.000 | (0;000) | ✗ | 27/01/17 |
| BC2N | ICSD | 191803 | C2/m (12) | ✔ | 8 | 32 | 3 | 0.0 | 0.005 | 0.202 | (0;111) | ✗ | 06/10/16 |
| SiH4 | ICSD | 159307 | P2_1/c (14) | ✔ | 20 | 32 | 2 | 2.7828 | 2.791 | 0.000 | (0;000) | ✗ | 27/01/17 |
| K2MgH4 | ICSD | 68358 | I4/mmm (139) | ✔ | 7 | 32 | 1 | 3.3744 | 3.781 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Na2H4Pt | ICSD | 638356 | I4/mmm (139) | ✔ | 7 | 32 | 1 | 1.838 | 1.845 | 0.000 | (0;000) | ✗ | 27/01/17 |
| BC2N | ICSD | 191802 | P1 (1) | ✗ | 8 | 32 | 3 | 0.1899 | 0.191 | 0.000 | (0;000) | ✔ | 06/10/16 |
| SiS2 | COD | 1010409 | Ibam (72) | ✔ | 6 | 32 | 1 | 2.6018 | 2.896 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Li2CdPb | COD | 1524769 | F-43m (216) | ✗ | 4 | 32 | 3 | 0.0 | 0.000 | 0.303 | (1;000) | ✔ | 15/02/17 |
| Ru | COD | 1512537 | P6_3/mmc (194) | ✔ | 2 | 32 | 3 | 0.0 | 0.008 | 0.578 | (0;000) | ✗ | 27/01/17 |
| NaAlSi | COD | 7221265 | P4/nmm (129) | ✔ | 6 | 32 | 1 | 0.0 | 0.002 | 0.188 | (0;000) | ✗ | 05/01/17 |
| VB | ICSD | 42952 | Cmcm (63) | ✔ | 4 | 32 | 3 | 0.0 | 0.019 | 0.325 | (1;000) | ✗ | 06/10/16 |
| TaB | ICSD | 186194 | Cmcm (63) | ✔ | 4 | 32 | 3 | 0.0 | 0.055 | 0.360 | (1;000) | ✗ | 06/10/16 |
| Ca2BrN | ICSD | 153105 | R-3m (166) | ✔ | 4 | 32 | 1 | 2.4019 | 2.402 | 0.000 | (0;000) | ✗ | 27/01/17 |
| KNO3 | ICSD | 260601 | R3m (160) | ✗ | 5 | 32 | 1 | 3.1468 | 3.147 | 0.000 | (0;000) | ✗ | 06/10/16 |
| NbB | ICSD | 191899 | Cmcm (63) | ✔ | 4 | 32 | 3 | 0.0 | 0.026 | 0.365 | (1;000) | ✗ | 06/10/16 |
| LiCoO2 | COD | 4505482 | R-3m (166) | ✔ | 4 | 32 | 2 | 1.0657 | 1.109 | 0.000 | (0;000) | ✗ | 27/01/17 |
| BN | ICSD | 162876 | Pmnb (62) | ✔ | 8 | 32 | 3 | 5.9754 | 6.508 | 0.000 | (0;000) | ✗ | 06/10/16 |
| BAsO4 | ICSD | 413438 | I-4 (82) | ✗ | 6 | 32 | 3 | 5.1922 | 5.671 | 0.000 | (0;000) | ✗ | 06/10/16 |
| BAsO4 | ICSD | 26891 | I-4 (82) | ✗ | 6 | 32 | 3 | 5.3758 | 5.789 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Li2B2C | COD | 2019750 | P-4m2 (115) | ✗ | 10 | 32 | 2 | 0.0 | 0.000 | 0.456 | ? | ✗ | 15/02/17 |
| RbScS2 | COD | 2020008 | R-3m (166) | ✔ | 4 | 32 | 2 | 1.7063 | 2.455 | 0.000 | (0;000) | ✗ | 27/01/17 |
| LiFeP | COD | 9008322 | P4/nmm (129) | ✔ | 6 | 32 | 2 | 0.0 | 0.011 | 0.513 | (1;001) | ✗ | 27/01/17 |
| CaSi3Pt | ICSD | 181448 | I4mm (107) | ✗ | 5 | 32 | 3 | 0.0 | 0.013 | 0.420 | ? | ✗ | 15/02/17 |
| FeGe2 | ICSD | 42519 | I4/mcm (140) | ✔ | 6 | 32 | 3 | 0.0 | 0.013 | 0.346 | (0;000) | ✗ | 27/01/17 |
| Na3N | ICSD | 165994 | Fm-3m (225) | ✔ | 4 | 32 | 3 | 2.0516 | 2.052 | 0.000 | (0;000) | ✗ | 27/01/17 |
| NaAlGe | COD | 7221266 | P4/nmm (129) | ✔ | 6 | 32 | 1 | 0.0 | 0.008 | 0.128 | (0;000) | ✗ | 05/01/17 |
| Na3N | COD | 4308277 | Pm-3m (221) | ✔ | 4 | 32 | 1 | 0.0 | 0.000 | 0.084 | (1;000) | ✗ | 27/01/17 |
| C | COD | 9012241 | Im-3m (229) | ✔ | 8 | 32 | 3 | 2.5767 | 3.974 | 0.000 | (0;000) | ✗ | 27/01/17 |
| RbYS2 | COD | 2105804 | R-3m (166) | ✔ | 4 | 32 | 2 | 2.2654 | 2.916 | 0.000 | (0;000) | ✗ | 27/01/17 |
| NbB | COD | 1511254 | Cmcm (63) | ✔ | 4 | 32 | 3 | 0.0 | 0.024 | 0.365 | (1;000) | ✗ | 27/01/17 |
| H3C2N | COD | 1504384 | Cmc2_1 (36) | ✗ | 12 | 32 | 1 | 7.2799 | 7.387 | 0.000 | (0;000) | ✗ | 15/02/17 |
| C | COD | 9012590 | P6_3/mmc (194) | ✔ | 8 | 32 | 3 | 4.4445 | 5.193 | 0.000 | (0;000) | ✗ | 27/01/17 |
| CsK2Sb | ICSD | 53237 | Fm-3m (225) | ✔ | 4 | 32 | 1 | 0.9783 | 0.978 | 0.000 | (0;000) | ✗ | 27/01/17 |
| SiF4 | ICSD | 14122 | I-43m (217) | ✗ | 5 | 32 | 1 | 8.056 | 8.625 | 0.000 | (0;000) | ✗ | 06/10/16 |
| AlPS4 | ICSD | 428185 | I222 (23) | ✗ | 6 | 32 | 1 | 2.5158 | 2.670 | 0.000 | (0;000) | ✗ | 06/10/16 |
| ZrNCl | COD | 1521250 | R-3m (166) | ✔ | 6 | 32 | 2 | 1.1497 | 1.792 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Sr2SO | ICSD | 165968 | P4/mmm (123) | ✔ | 4 | 32 | 1 | 2.1939 | 2.194 | 0.000 | (0;000) | ✗ | 06/10/16 |
| MnIr | ICSD | 104496 | P4/mmm (123) | ✔ | 2 | 32 | 3 | 0.0 | 0.005 | 0.600 | (0;001) | ✗ | 27/01/17 |
| GeF4 | ICSD | 202558 | I-43m (217) | ✗ | 5 | 32 | 1 | 6.2961 | 6.758 | 0.000 | (0;000) | ✗ | 06/10/16 |
| TePt | ICSD | 41370 | R-3m (166) | ✔ | 4 | 32 | 2 | 0.0 | 0.073 | 0.748 | (1;111) | ✗ | 27/01/17 |
| AlPO4 | ICSD | 24511 | I-4 (82) | ✗ | 6 | 32 | 3 | 5.7997 | 5.800 | 0.000 | (0;000) | ✗ | 06/10/16 |
| SiO2 | ICSD | 25632 | Ibam (72) | ✔ | 6 | 32 | 1 | 2.7504 | 3.123 | 0.000 | (0;000) | ✗ | 27/01/17 |
| AlAsO4 | ICSD | 24512 | I-4 (82) | ✗ | 6 | 32 | 3 | 0.1966 | 0.197 | 0.000 | (0;000) | ✔ | 06/10/16 |
| Al3BN4 | ICSD | 187051 | P-43m (215) | ✗ | 8 | 32 | 3 | 3.5768 | 3.577 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Na3N | ICSD | 165989 | P6/mmm (191) | ✔ | 4 | 32 | 1 | 0.0 | 0.002 | 0.065 | (1;000) | ✗ | 27/01/17 |
| TePt | COD | 1523756 | P6_3/mmc (194) | ✔ | 4 | 32 | 3 | 0.0 | 0.034 | 0.412 | (0;000) | ✗ | 27/01/17 |
| H4NF | COD | 2106401 | P6_3mc (186) | ✗ | 12 | 32 | 1 | 5.8885 | 5.974 | 0.000 | (0;000) | ✗ | 15/02/17 |
| TaF3 | ICSD | 30613 | Pm-3m (221) | ✔ | 4 | 34 | 3 | 0.0 | 0.000 | 0.776 | (0;000) | ✗ | 27/01/17 |
| ZrPt3 | COD | 1522858 | Pm-3m (221) | ✔ | 4 | 34 | 3 | 0.0 | 0.000 | 0.215 | (0;111) | ✗ | 27/01/17 |
| NbF3 | ICSD | 60246 | Pm-3m (221) | ✔ | 4 | 34 | 3 | 0.0 | 0.000 | 0.784 | (0;000) | ✗ | 27/01/17 |
| AgNO3 | ICSD | 35157 | R3m (160) | ✗ | 5 | 34 | 3 | 2.0793 | 2.425 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Al2Cu | ICSD | 107544 | Fmmm (69) | ✔ | 6 | 34 | 3 | 0.0 | 0.013 | 0.904 | (1;000) | ✗ | 06/10/16 |
| LiGeBO4 | ICSD | 67535 | I-4 (82) | ✗ | 7 | 34 | 3 | 5.1036 | 5.475 | 0.000 | (0;000) | ✗ | 15/02/17 |
| RbIO3 | ICSD | 2825 | R3m (160) | ✗ | 5 | 34 | 1 | 2.7038 | 2.708 | 0.000 | (0;000) | ✗ | 06/10/16 |
| CuAgTe2 | ICSD | 42482 | Pmm2 (25) | ✗ | 4 | 34 | 2 | 0.0 | 0.001 | 0.916 | (1;000) | ✔ | 05/12/16 |
| YAl2 | ICSD | 609660 | Fd-3m (227) | ✔ | 6 | 34 | 3 | 0.0 | 0.000 | 0.752 | (0;000) | ✗ | 05/01/17 |
| HfAu2 | ICSD | 611956 | I4/mmm (139) | ✔ | 3 | 34 | 3 | 0.0 | 0.007 | 0.298 | (1;000) | ✗ | 05/01/17 |
| RbClO3 | ICSD | 10283 | R3m (160) | ✗ | 5 | 34 | 1 | 5.3969 | 5.397 | 0.000 | (0;000) | ✗ | 06/10/16 |
| SiNi3 | ICSD | 646584 | Pm-3m (221) | ✔ | 4 | 34 | 3 | 0.0 | 0.068 | 0.317 | (0;111) | ✗ | 27/01/17 |
| Pt2W | ICSD | 649841 | Immm (71) | ✔ | 3 | 34 | 3 | 0.0 | 0.016 | 0.705 | (1;111) | ✗ | 27/01/17 |