Plotting...
| ▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▴ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| CI4 | ICSD | 30789 | I-42m (121) | ✗ | 5 | 32 | 1 | 0.9413 | 0.943 | 0.000 | (0;000) | ✗ | 06/10/16 |
| OsCl4 | ICSD | 1165 | Cmmm (65) | ✔ | 5 | 44 | 1 | 0.0 | 0.322 | 0.353 | (0;000) | ✗ | 06/10/16 |
| CaSb2 | ICSD | 862 | P2_1/m (11) | ✔ | 6 | 40 | 1 | 0.0 | 0.070 | 0.251 | (1;011) | ✔ | 27/01/17 |
| Li2GeO3 | ICSD | 100403 | Ccm2_1 (36) | ✗ | 12 | 56 | 1 | 4.0511 | 4.230 | 0.000 | (0;000) | ✗ | 06/10/16 |
| SiF4 | ICSD | 14122 | I-43m (217) | ✗ | 5 | 32 | 1 | 8.056 | 8.625 | 0.000 | (0;000) | ✗ | 06/10/16 |
| VCl5 | ICSD | 425146 | P-1 (2) | ✔ | 12 | 96 | 1 | 0.3098 | 0.388 | 0.000 | (0;000) | ✗ | 02/02/17 |
| MoCl5 | ICSD | 84620 | P-1 (2) | ✔ | 12 | 98 | 1 | 0.0 | 0.021 | 0.413 | (1;110) | ✗ | 06/10/16 |
| TlCl2 | ICSD | 4031 | I4_1/a (88) | ✔ | 12 | 108 | 1 | 2.4354 | 2.536 | 0.000 | (0;000) | ✗ | 02/02/17 |
| BeO | ICSD | 601160 | P6_3mc (186) | ✗ | 4 | 20 | 1 | 7.4832 | 7.483 | 0.000 | (0;000) | ✗ | 06/10/16 |
| WCl6 | ICSD | 26081 | R-3 (148) | ✔ | 7 | 56 | 1 | 1.782 | 1.845 | 0.000 | (0;000) | ✗ | 27/01/17 |
| CuTe | ICSD | 42592 | Pmmn (59) | ✔ | 4 | 34 | 1 | 0.0 | 0.000 | 0.952 | (1;010) | ✗ | 02/02/17 |
| TlF | ICSD | 30268 | Fmmm (69) | ✔ | 2 | 20 | 1 | 1.7905 | 1.791 | 0.000 | (0;000) | ✗ | 06/10/16 |
| OsO4 | ICSD | 24672 | C2 (5) | ✗ | 5 | 40 | 1 | 4.2187 | 4.251 | 0.000 | (0;000) | ✗ | 06/10/16 |
| BeO | ICSD | 163467 | F-43m (216) | ✗ | 2 | 10 | 1 | 6.9092 | 7.605 | 0.000 | (0;000) | ✗ | 06/10/16 |
| BaMnO3 | ICSD | 23873 | Ccmm (63) | ✔ | 10 | 86 | 1 | 0.0 | 0.000 | 0.352 | (0;000) | ✗ | 06/10/16 |
| Li2Ga | ICSD | 100051 | Cmcm (63) | ✔ | 6 | 38 | 1 | 0.0 | 0.000 | 0.778 | (1;110) | ✗ | 06/10/16 |
| CO2 | ICSD | 188894 | P4_12_12 (92) | ✗ | 12 | 64 | 1 | 2.6623 | 3.604 | 0.000 | (0;000) | ✗ | 06/10/16 |
| SrGe | ICSD | 43099 | Cmcm (63) | ✔ | 4 | 28 | 1 | 0.0 | 0.034 | 0.168 | (0;110) | ✗ | 06/10/16 |
| SrAs3 | ICSD | 41831 | C2/m (12) | ✔ | 8 | 50 | 1 | 0.0 | 0.043 | 0.272 | (1;001) | ✔ | 05/01/17 |
| HBr | ICSD | 28842 | Fmmm (69) | ✔ | 2 | 8 | 1 | 0.0 | 0.014 | 0.282 | (0;000) | ✗ | 06/10/16 |
| TlIO3 | ICSD | 62106 | R3m (160) | ✗ | 5 | 38 | 1 | 2.5705 | 2.612 | 0.000 | (0;000) | ✗ | 06/10/16 |
| SbSI | ICSD | 26924 | P2_1nb (33) | ✗ | 12 | 72 | 1 | 1.4207 | 1.565 | 0.000 | (0;000) | ✗ | 06/10/16 |
| NO | ICSD | 27871 | P2_1/c (14) | ✔ | 8 | 44 | 1 | 0.0 | 0.002 | 0.048 | (0;010) | ✔ | 27/01/17 |
| NO2 | ICSD | 164631 | P2_1/m (11) | ✔ | 12 | 68 | 1 | 1.4082 | 1.460 | 0.000 | (0;000) | ✗ | 06/10/16 |
| NO2 | ICSD | 28331 | P2_1/c (14) | ✔ | 12 | 68 | 1 | 2.5717 | 2.624 | 0.000 | (0;000) | ✗ | 27/01/17 |
| K2S | ICSD | 412535 | Cmcm (63) | ✔ | 6 | 48 | 1 | 2.7895 | 2.790 | 0.000 | (0;000) | ✗ | 27/01/17 |
| PI2 | ICSD | 203216 | P-1 (2) | ✔ | 6 | 38 | 1 | 1.5597 | 1.560 | 0.000 | (0;000) | ✗ | 06/10/16 |
| NbI5 | ICSD | 10457 | P-1 (2) | ✔ | 12 | 96 | 1 | 0.0 | 0.048 | 0.113 | (0;111) | ✗ | 06/10/16 |
| K3Sb | ICSD | 641351 | Fm-3m (225) | ✔ | 4 | 32 | 1 | 0.6121 | 0.612 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Ba | ICSD | 615773 | P6_3/mmc (194) | ✔ | 2 | 20 | 1 | 0.0 | 0.019 | 0.268 | (0;000) | ✗ | 05/01/17 |
| Li2Tl | ICSD | 642401 | Cmcm (63) | ✔ | 6 | 38 | 1 | 0.0 | 0.000 | 0.717 | (1;110) | ✗ | 27/01/17 |
| LiScI3 | ICSD | 73339 | P-6c2 (188) | ✗ | 10 | 70 | 1 | 0.0 | 0.000 | 0.689 | ? | ✗ | 06/10/16 |
| K2AgAs | ICSD | 1154 | C222_1 (20) | ✗ | 8 | 68 | 1 | 1.1805 | 1.308 | 0.000 | (0;000) | ✗ | 06/10/16 |
| KSnSb | ICSD | 33933 | P6_3mc (186) | ✗ | 6 | 56 | 1 | 0.2551 | 0.301 | 0.000 | (0;000) | ✔ | 06/10/16 |
| K2PbO3 | ICSD | 22063 | Cmc2_1 (36) | ✗ | 12 | 100 | 1 | 0.9829 | 0.983 | 0.000 | (0;000) | ✗ | 06/10/16 |
| K3SbS4 | ICSD | 41895 | I-43m (217) | ✗ | 8 | 56 | 1 | 2.2119 | 2.258 | 0.000 | (0;000) | ✗ | 06/10/16 |
| GeF4 | ICSD | 202558 | I-43m (217) | ✗ | 5 | 32 | 1 | 6.2961 | 6.758 | 0.000 | (0;000) | ✗ | 06/10/16 |
| SrPb | ICSD | 105623 | Cmcm (63) | ✔ | 4 | 48 | 1 | 0.0 | 0.038 | 0.256 | (0;110) | ✗ | 06/10/16 |
| Rb2Te | ICSD | 55115 | Fm-3m (225) | ✔ | 3 | 24 | 1 | 1.7624 | 1.976 | 0.000 | (0;000) | ✗ | 06/10/16 |
| RbTe | ICSD | 83350 | Pbam (55) | ✔ | 8 | 60 | 1 | 0.795 | 0.875 | 0.000 | (0;000) | ✗ | 02/02/17 |
| As2Se3 | ICSD | 611373 | C2/m (12) | ✔ | 10 | 56 | 1 | 0.5143 | 0.533 | 0.000 | (0;000) | ✗ | 30/01/17 |
| BeF2 | ICSD | 9481 | P6_222 (180) | ✗ | 9 | 54 | 1 | 8.125 | 8.200 | 0.000 | (0;000) | ✗ | 06/10/16 |
| BaC2 | ICSD | 88102 | C2/c (15) | ✔ | 6 | 36 | 1 | 1.9008 | 2.015 | 0.000 | (0;000) | ✗ | 27/01/17 |
| MgF2 | ICSD | 51242 | Cm2m (38) | ✗ | 3 | 24 | 1 | 0.86 | 0.994 | 0.000 | (0;000) | ✗ | 06/10/16 |
| CaC2 | ICSD | 24074 | C2/c (15) | ✔ | 6 | 36 | 1 | 2.3901 | 2.972 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Li2SiO3 | ICSD | 853 | Ccm2_1 (36) | ✗ | 12 | 56 | 1 | 5.3811 | 5.691 | 0.000 | (0;000) | ✗ | 06/10/16 |
| CaC2 | ICSD | 290833 | C2/m (12) | ✔ | 6 | 36 | 1 | 2.378 | 2.794 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Tl2O | ICSD | 77699 | C2/m (12) | ✔ | 6 | 64 | 1 | 0.402 | 0.482 | 0.000 | (0;000) | ✔ | 06/10/16 |
| SrSi | ICSD | 160107 | Pmnb (62) | ✔ | 8 | 56 | 1 | 0.0 | 0.008 | 0.102 | (1;000) | ✗ | 06/10/16 |
| NaO2 | ICSD | 180562 | Pmnn (58) | ✔ | 6 | 42 | 1 | 0.0 | 0.000 | 0.985 | (0;110) | ✗ | 06/10/16 |