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| ▹ Formula | ▹ Source | ▹ ID | ▴ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| TiO2 | COD | 1511015 | P4_2/mnm (136) | ✔ | 6 | 48 | 3 | 1.8907 | 1.891 | 0.000 | (0;000) | ✗ | 27/01/17 |
| TeO2 | ICSD | 647519 | P4_2/mnm (136) | ✔ | 6 | 36 | 3 | 0.0 | 0.890 | 0.307 | (0;000) | ✗ | 27/01/17 |
| Si(AgO)4 | COD | 1509889 | P4_2/n (86) | ✔ | 18 | 144 | 3 | 0.7549 | 1.117 | 0.000 | (0;000) | ✗ | 30/01/17 |
| Y(BIr)4 | ICSD | 614580 | P4_2/n (86) | ✔ | 18 | 182 | 3 | 0.0 | 0.000 | 0.842 | (1;111) | ✗ | 02/02/17 |
| MnB | COD | 1511485 | P4_2/ncm (138) | ✔ | 16 | 144 | 3 | 0.0 | 0.001 | 0.588 | (0;000) | ✗ | 02/02/17 |
| AuBr | COD | 1510610 | P4_2/ncm (138) | ✔ | 8 | 72 | 2 | 1.7201 | 1.721 | 0.000 | (0;000) | ✗ | 30/01/17 |
| Cl2 | COD | 9015583 | P4_2/ncm (138) | ✔ | 16 | 112 | 1 | 0.2095 | 0.551 | 0.000 | (0;000) | ✗ | 02/02/17 |
| LiClO2 | COD | 2014617 | P4_2/ncm (138) | ✔ | 16 | 88 | 1 | 2.6354 | 2.635 | 0.000 | (0;000) | ✗ | 02/02/17 |
| AuI | COD | 9008986 | P4_2/ncm (138) | ✔ | 8 | 72 | 2 | 1.3722 | 1.708 | 0.000 | (0;000) | ✗ | 02/02/17 |
| FeB | ICSD | 153475 | P4_2/ncm (138) | ✔ | 16 | 88 | 3 | 0.0 | 0.005 | 0.424 | (0;000) | ✗ | 05/01/17 |
| Cd(BH4)2 | ICSD | 262600 | P4_2nm (102) | ✗ | 22 | 52 | 3 | 3.7041 | 3.716 | 0.000 | (0;000) | ✗ | 04/08/17 |
| LiMnVF6 | ICSD | 167073 | P4_2nm (102) | ✗ | 18 | 146 | 3 | 0.0 | 0.000 | 0.631 | ? | ✗ | 22/03/17 |
| S2N | COD | 2101578 | P4_2nm (102) | ✗ | 24 | 136 | 1 | 1.4175 | 1.598 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Ca3Cd2 | ICSD | 30082 | P4_2nm (102) | ✗ | 20 | 216 | 1 | 0.0 | 0.005 | 0.342 | ? | ✗ | 08/08/17 |
| LiFe2F6 | COD | 1000239 | P4_2nm (102) | ✗ | 18 | 122 | 3 | 0.0 | 0.000 | 0.774 | ? | ✗ | 22/03/17 |
| Mg(BH4)2 | ICSD | 262083 | P4_2nm (102) | ✗ | 22 | 48 | 3 | 5.5084 | 5.786 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Li7VN4 | COD | 4344132 | P4_2/nmc (137) | ✔ | 24 | 108 | 3 | 2.228 | 2.228 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Cd4OF6 | COD | 4030609 | P4_2/nmc (137) | ✔ | 22 | 192 | 3 | 1.9948 | 2.002 | 0.000 | (0;000) | ✗ | 04/08/17 |
| HgI2 | COD | 2103470 | P4_2/nmc (137) | ✔ | 24 | 208 | 3 | 1.0894 | 1.089 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Li6WN4 | ICSD | 153620 | P4_2/nmc (137) | ✔ | 22 | 132 | 1 | 2.9707 | 3.006 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Li6ZnO4 | ICSD | 62137 | P4_2/nmc (137) | ✔ | 22 | 108 | 3 | 3.6926 | 3.693 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Li6CoO4 | ICSD | 62688 | P4_2/nmc (137) | ✔ | 22 | 118 | 3 | 0.0 | 0.000 | 0.950 | (1;000) | ✗ | 04/08/17 |
| Li6MoN4 | ICSD | 66095 | P4_2/nmc (137) | ✔ | 22 | 104 | 1 | 2.6915 | 2.731 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Y(ReB)4 | ICSD | 615286 | P4_2/nmc (137) | ✔ | 18 | 166 | 3 | 0.0 | 0.000 | 0.907 | (0;000) | ✗ | 02/02/17 |
| HgI2 | COD | 9014434 | P4_2/nmc (137) | ✔ | 6 | 52 | 2 | 0.8955 | 0.896 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Pb2OF2 | COD | 1523196 | P4_2/nmc (137) | ✔ | 20 | 192 | 3 | 2.9342 | 3.131 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Nb4O5 | ICSD | 39595 | P4_2/nmc (137) | ✔ | 18 | 164 | 3 | 0.0 | 0.004 | 0.327 | (0;000) | ✗ | 02/02/17 |
| Y(BRh)4 | COD | 1511508 | P4_2/nmc (137) | ✔ | 18 | 182 | 3 | 0.0 | 0.000 | 0.889 | (0;000) | ✗ | 02/02/17 |
| BCl | COD | 9008995 | P4_2/nmc (137) | ✔ | 16 | 80 | 2 | 3.0503 | 3.056 | 0.000 | (0;000) | ✗ | 02/02/17 |
| ZrO2 | COD | 1525705 | P4_2/nmc (137) | ✔ | 6 | 32 | 3 | 2.5848 | 2.591 | 0.000 | (0;000) | ✗ | 27/01/17 |
| ZrO2 | COD | 1526427 | P4_2/nmc (137) | ✔ | 6 | 32 | 3 | 3.4892 | 3.667 | 0.000 | (0;000) | ✗ | 27/01/17 |
| ZnCl2 | ICSD | 26152 | P4_2/nmc (137) | ✔ | 6 | 52 | 2 | 3.8088 | 3.809 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Y(CoB)4 | ICSD | 613410 | P4_2/nmc (137) | ✔ | 18 | 182 | 3 | 0.0 | 0.000 | 0.885 | (0;000) | ✗ | 05/01/17 |
| ZrO2 | ICSD | 164736 | P4_2/nmc (137) | ✔ | 6 | 48 | 3 | 3.9588 | 4.029 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Pb2O3 | ICSD | 36295 | P4_2/nnm (134) | ✔ | 10 | 92 | 3 | 0.0 | 0.051 | 0.190 | (1;111) | ✗ | 27/01/17 |
| Li3Ag2Ge3 | COD | 1509812 | P4_2/nnm (134) | ✔ | 16 | 86 | 3 | 0.0 | 0.000 | 0.732 | (1;111) | ✗ | 30/01/17 |
| Li3Si3Ag2 | COD | 1509667 | P4_2/nnm (134) | ✔ | 16 | 86 | 3 | 0.0 | 0.000 | 0.725 | (0;111) | ✗ | 30/01/17 |
| SiO2 | ICSD | 75651 | P4_32_12 (96) | ✗ | 12 | 64 | 3 | 5.7082 | 5.708 | 0.000 | (0;000) | ✗ | 06/10/16 |
| TeO2 | ICSD | 62897 | P4_32_12 (96) | ✗ | 12 | 72 | 3 | 2.9657 | 3.040 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Ge | COD | 9011057 | P4_32_12 (96) | ✗ | 12 | 48 | 3 | 0.4676 | 0.468 | 0.000 | (0;000) | ✔ | 22/03/17 |
| CdP2 | COD | 1528584 | P4_32_12 (96) | ✗ | 24 | 176 | 3 | 1.1046 | 1.251 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Ag2HgO2 | COD | 7109248 | P4_32_12 (96) | ✗ | 20 | 184 | 3 | 0.581 | 0.581 | 0.000 | (0;000) | ✗ | 16/03/17 |
| SiO2 | COD | 4124081 | P4_322 (95) | ✗ | 24 | 128 | 3 | 0.6038 | 0.604 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Li2BPt3 | COD | 1511225 | P4_332 (212) | ✗ | 24 | 156 | 3 | 0.0 | 0.000 | 0.530 | ? | ✗ | 04/08/17 |
| Li2BPd3 | COD | 1511224 | P4_332 (212) | ✗ | 24 | 252 | 3 | 0.0 | 0.000 | 0.557 | ? | ✗ | 04/08/17 |
| BaSi2 | ICSD | 2218 | P4_332 (212) | ✗ | 12 | 72 | 3 | 0.0 | 0.008 | 0.016 | (0;000) | ✔ | 13/04/17 |
| SrSi2 | ICSD | 652289 | P4_332 (212) | ✗ | 12 | 72 | 3 | 0.0 | 0.003 | 0.068 | (0;000) | ✔ | 26/04/17 |
| Zr(BH4)4 | COD | 1508533 | P-43m (215) | ✗ | 21 | 32 | 1 | 5.126 | 5.409 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Li2MgIr | ICSD | 180119 | P-43m (215) | ✗ | 16 | 132 | 3 | 0.0 | 0.000 | 0.843 | ? | ✗ | 29/03/17 |
| Hf(BH4)4 | ICSD | 35379 | P-43m (215) | ✗ | 21 | 40 | 1 | 5.6325 | 5.633 | 0.000 | (0;000) | ✗ | 04/08/17 |