| ▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▴ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| CaCd2Pd | ICSD | 425509 | Pnma (62) | ✔ | 16 | 208 | 3 | 0.0 | 0.005 | 0.653 | (0;000) | ✗ | 21/03/17 |
| AlI3 | ICSD | 391247 | P2_1/c (14) | ✔ | 16 | 96 | 1 | 2.9254 | 2.928 | 0.000 | (0;000) | ✗ | 30/01/17 |
| HfB4Ir3 | COD | 2105436 | P6_3/m (176) | ✔ | 16 | 150 | 3 | 0.0 | 0.000 | 0.587 | (0;000) | ✗ | 05/01/17 |
| ScB4Ir3 | COD | 1511750 | P6_3/m (176) | ✔ | 16 | 148 | 3 | 0.0 | 0.001 | 0.211 | (1;000) | ✗ | 05/01/17 |
| ZrB4Ir3 | ICSD | 614583 | P6_3/m (176) | ✔ | 16 | 134 | 3 | 0.0 | 0.000 | 0.667 | (0;000) | ✗ | 05/01/17 |
| SrPd3O4 | COD | 1008074 | Pm-3n (223) | ✔ | 16 | 176 | 3 | 0.0 | 0.029 | 0.123 | (0;000) | ✗ | 27/01/17 |
| MgB4Os3 | COD | 1511478 | Cmcm (63) | ✔ | 16 | 140 | 3 | 0.0 | 0.042 | 0.716 | (0;110) | ✗ | 05/01/17 |
| H3I3N2 | ICSD | 27416 | P2_1/m (11) | ✔ | 16 | 68 | 3 | 0.8803 | 1.057 | 0.000 | (0;000) | ✗ | 02/02/17 |
| BaMnCO3F2 | COD | 1100121 | P6_3/m (176) | ✔ | 16 | 122 | 2 | 0.0 | 0.000 | 0.877 | (0;000) | ✗ | 02/02/17 |
| BaZnCO3F2 | COD | 1100122 | P6_3/m (176) | ✔ | 16 | 116 | 2 | 5.0322 | 5.038 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CaSi3 | ICSD | 263004 | I4/mmm (139) | ✔ | 16 | 88 | 1 | 0.0 | 0.003 | 0.736 | (0;111) | ✗ | 02/02/17 |
| NaH4IO2 | COD | 7202888 | P-1 (2) | ✔ | 16 | 64 | 1 | 3.603 | 3.603 | 0.000 | (0;000) | ✗ | 02/02/17 |
| AlSbI6 | ICSD | 38253 | C2/m (12) | ✔ | 16 | 100 | 2 | 1.8332 | 1.897 | 0.000 | (0;000) | ✗ | 30/01/17 |
| Li3AsO4 | ICSD | 75927 | Pmn2_1 (31) | ✗ | 16 | 76 | 1 | 4.7571 | 4.821 | 0.000 | (0;000) | ✗ | 15/02/17 |
| CBrF2 | COD | 7200672 | P2_1/c (14) | ✔ | 16 | 100 | 1 | 4.3722 | 4.447 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CaTiSiO5 | COD | 9001794 | C2/c (15) | ✔ | 16 | 112 | 3 | 3.2315 | 3.237 | 0.000 | (0;000) | ✗ | 22/03/17 |
| Hf3Si3Ni2 | COD | 1531009 | Cmcm (63) | ✔ | 16 | 136 | 3 | 0.0 | 0.010 | 0.770 | (0;000) | ✗ | 02/02/17 |
| Hf5Si3 | ICSD | 53042 | P6_3/mcm (193) | ✔ | 16 | 144 | 3 | 0.0 | 0.011 | 0.566 | (1;000) | ✗ | 02/02/17 |
| Hf3Rh5 | COD | 1523697 | Pbam (55) | ✔ | 16 | 242 | 3 | 0.0 | 0.000 | 0.872 | (1;111) | ✗ | 02/02/17 |
| HfPt3 | COD | 1523507 | P6_3/mmc (194) | ✔ | 16 | 168 | 3 | 0.0 | 0.024 | 0.300 | (0;000) | ✗ | 02/02/17 |
| Hf5Sn3 | COD | 1523285 | P6_3/mcm (193) | ✔ | 16 | 204 | 3 | 0.0 | 0.004 | 0.758 | (1;000) | ✗ | 02/02/17 |
| Co3C | ICSD | 43521 | Pnma (62) | ✔ | 16 | 220 | 3 | 0.0 | 0.000 | 0.581 | (0;110) | ✗ | 22/03/17 |
| Cr3C | ICSD | 617486 | Pnma (62) | ✔ | 16 | 184 | 3 | 0.0 | 0.011 | 0.371 | (1;000) | ✗ | 22/03/17 |
| BaH4O3 | ICSD | 63017 | Pmc2_1 (26) | ✗ | 16 | 64 | 1 | 4.418 | 4.429 | 0.000 | (0;000) | ✗ | 15/02/17 |
| HfTl2PbSe4 | ICSD | 237510 | C2/c (15) | ✔ | 16 | 152 | 3 | 0.0 | 1.220 | 0.059 | (0;000) | ✗ | 02/02/17 |
| SiC(ClF)3 | ICSD | 173735 | C2/m (12) | ✔ | 16 | 100 | 1 | 6.2495 | 6.314 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CsCSN | ICSD | 60871 | Pnma (62) | ✔ | 16 | 96 | 1 | 4.4093 | 4.410 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CSCl2 | ICSD | 300291 | P2_1/c (14) | ✔ | 16 | 96 | 1 | 2.8885 | 2.901 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Tl2(CdSb)3 | ICSD | 76500 | C2/m (12) | ✔ | 16 | 154 | 3 | 0.0 | 0.146 | 0.038 | (0;000) | ✗ | 22/03/17 |
| HfTl2PbS4 | ICSD | 237509 | C2/c (15) | ✔ | 16 | 152 | 3 | 0.5954 | 1.532 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CsC | ICSD | 51534 | Pnma (62) | ✔ | 16 | 104 | 1 | 2.8353 | 2.840 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CdCu2GeS4 | ICSD | 26150 | Pmn2_1 (31) | ✗ | 16 | 124 | 3 | 0.6433 | 0.644 | 0.000 | (0;000) | ✗ | 22/03/17 |
| K2AsAuS4 | ICSD | 85681 | P2_1/m (11) | ✔ | 16 | 116 | 3 | 0.8772 | 0.877 | 0.000 | (0;000) | ✗ | 30/01/17 |
| CdSi(CuSe2)2 | ICSD | 619783 | Pmn2_1 (31) | ✗ | 16 | 124 | 3 | 0.5507 | 0.551 | 0.000 | (0;000) | ✗ | 22/03/17 |
| MnVBiO5 | ICSD | 59720 | P-1 (2) | ✔ | 16 | 146 | 3 | 0.0 | 0.005 | 0.110 | (0;010) | ✗ | 02/02/17 |
| SbO3 | COD | 9014718 | P2_1/c (14) | ✔ | 16 | 92 | 3 | 0.0 | 0.015 | 0.301 | (1;000) | ✗ | 02/02/17 |
| PBr3 | ICSD | 8052 | Pnma (62) | ✔ | 16 | 104 | 1 | 3.1017 | 3.223 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Li2CdGeS4 | COD | 4302973 | Pmn2_1 (31) | ✗ | 16 | 92 | 2 | 2.422 | 2.422 | 0.000 | (0;000) | ✗ | 22/03/17 |
| Sr5Cd3 | COD | 1527309 | I4/mcm (140) | ✔ | 16 | 172 | 1 | 0.0 | 0.006 | 0.538 | (0;111) | ✗ | 02/02/17 |
| K5As2Au | COD | 1008878 | P6_3/mmc (194) | ✔ | 16 | 132 | 1 | 0.3454 | 0.345 | 0.000 | (0;000) | ✗ | 30/01/17 |
| RbCdH2I3O | ICSD | 809 | Cc (9) | ✗ | 16 | 100 | 1 | 2.3934 | 2.394 | 0.000 | (0;000) | ✗ | 22/03/17 |
| ScCd7 | ICSD | 55553 | Cmcm (63) | ✔ | 16 | 190 | 3 | 0.0 | 0.000 | 0.934 | (1;110) | ✗ | 02/02/17 |
| BaSi6N8O | ICSD | 415272 | Imm2 (44) | ✗ | 16 | 80 | 3 | 4.3246 | 4.411 | 0.000 | (0;000) | ✗ | 15/02/17 |
| TlCO2 | COD | 4308986 | P2_1/c (14) | ✔ | 16 | 116 | 2 | 2.5146 | 2.589 | 0.000 | (0;000) | ✗ | 02/02/17 |
| NaCoSO4F | ICSD | 262275 | C2/c (15) | ✔ | 16 | 126 | 3 | 0.0 | 0.001 | 0.551 | (1;011) | ✗ | 27/01/17 |
| HgO | ICSD | 32561 | P-1 (2) | ✔ | 16 | 144 | 3 | 0.8413 | 1.143 | 0.000 | (0;000) | ✗ | 02/02/17 |
| SrHg3 | ICSD | 247140 | Pnma (62) | ✔ | 16 | 184 | 3 | 0.0 | 0.008 | 0.411 | (0;000) | ✗ | 02/02/17 |
| Mg5Hg3 | COD | 1523298 | P6_3/mcm (193) | ✔ | 16 | 172 | 3 | 0.0 | 0.004 | 0.528 | (1;000) | ✗ | 02/02/17 |
| BaCo2P2H2O9 | ICSD | 84830 | C2 (5) | ✗ | 16 | 110 | 2 | 0.0 | 0.007 | 0.518 | ? | ✗ | 15/02/17 |
| BaBePO4F | ICSD | 200922 | P1 (1) | ✗ | 16 | 100 | 1 | 6.2132 | 6.473 | 0.000 | (0;000) | ✗ | 15/02/17 |