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| ▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▴ updated |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| PH4I | ICSD | 22083 | P4/nmm (129) | ✔ | 12 | 32 | 1 | 3.441 | 3.570 | 0.000 | (0;000) | ✗ | 29/03/17 |
| TcH4NO4 | ICSD | 10429 | I4_1/a (88) | ✔ | 20 | 96 | 1 | 0.0 | 0.735 | 1.000 | (1;111) | ✗ | 29/03/17 |
| Hf3Sb | ICSD | 638878 | I-4 (82) | ✗ | 16 | 164 | 3 | 0.0 | 0.046 | 0.486 | ? | ✗ | 29/03/17 |
| Hf9Ni11 | ICSD | 638706 | I4/m (87) | ✔ | 20 | 218 | 3 | 0.0 | 0.001 | 0.502 | (0;000) | ✗ | 29/03/17 |
| HfIN | ICSD | 190384 | R-3m (166) | ✔ | 6 | 48 | 2 | 0.6678 | 1.802 | 0.000 | (0;000) | ✗ | 29/03/17 |
| HfSiOs | ICSD | 638752 | Ima2 (46) | ✗ | 18 | 192 | 3 | 0.0 | 0.039 | 0.607 | ? | ✗ | 29/03/17 |
| Hf(PS3)2 | ICSD | 47228 | Fdd2 (43) | ✗ | 18 | 116 | 3 | 2.1364 | 2.253 | 0.000 | (0;000) | ✗ | 29/03/17 |
| HfSnRh | ICSD | 107474 | P-62c (190) | ✗ | 18 | 258 | 3 | 0.0 | 0.000 | 0.493 | ? | ✗ | 29/03/17 |
| HfSiRu | ICSD | 638840 | Ima2 (46) | ✗ | 18 | 192 | 3 | 0.0 | 0.025 | 0.625 | ? | ✗ | 29/03/17 |
| NaHg2IO2 | COD | 9012531 | P6_222 (180) | ✗ | 18 | 156 | 3 | 1.378 | 1.658 | 0.000 | (0;000) | ✗ | 29/03/17 |
| Tl2Hg3Te4 | COD | 4000819 | C2/c (15) | ✔ | 18 | 172 | 3 | 0.3354 | 0.335 | 0.000 | (0;000) | ✗ | 29/03/17 |
| HgI2 | ICSD | 95272 | P-4m2 (115) | ✗ | 12 | 104 | 3 | 0.0 | 0.005 | 0.318 | (1;111) | ✔ | 29/03/17 |
| Hg(IO3)2 | COD | 7222313 | P2_1 (4) | ✗ | 18 | 124 | 3 | 2.7773 | 2.779 | 0.000 | (0;000) | ✗ | 29/03/17 |
| KHgI3 | COD | 1529983 | Pna2_1 (33) | ✗ | 20 | 168 | 1 | 1.6841 | 1.684 | 0.000 | (0;000) | ✗ | 29/03/17 |
| Hg | ICSD | 31091 | I-42d (122) | ✗ | 4 | 48 | 1 | 3.9013 | 3.933 | 0.000 | (0;000) | ✗ | 29/03/17 |
| HgI | COD | 9016417 | I4/mmm (139) | ✔ | 4 | 38 | 3 | 1.0965 | 1.460 | 0.000 | (0;000) | ✗ | 29/03/17 |
| K2SnHgSe4 | ICSD | 413308 | I-42m (121) | ✗ | 8 | 68 | 1 | 1.5248 | 1.525 | 0.000 | (0;000) | ✗ | 29/03/17 |
| Rb2SnHgTe4 | ICSD | 262390 | I-42m (121) | ✗ | 8 | 68 | 1 | 0.3755 | 0.886 | 0.000 | (0;000) | ✔ | 29/03/17 |
| Tl2SiHgSe4 | ICSD | 247763 | I-42m (121) | ✗ | 8 | 66 | 3 | 0.5765 | 0.583 | 0.000 | (0;000) | ✗ | 29/03/17 |
| Tl2SnHgSe4 | ICSD | 247764 | I-42m (121) | ✗ | 8 | 76 | 1 | 0.4214 | 0.421 | 0.000 | (0;000) | ✔ | 29/03/17 |
| Tl2SnHgTe4 | COD | 4000660 | I-42m (121) | ✗ | 8 | 76 | 3 | 0.0 | 0.159 | 0.086 | (0;000) | ✔ | 29/03/17 |
| HIO3 | COD | 2000582 | P2_12_12_1 (19) | ✗ | 20 | 104 | 3 | 3.1754 | 3.229 | 0.000 | (0;000) | ✗ | 29/03/17 |
| ZnHIO4 | ICSD | 185598 | Cc (9) | ✗ | 14 | 88 | 3 | 0.1277 | 0.194 | 0.000 | (0;000) | ✔ | 29/03/17 |
| SrHI | COD | 9009184 | P4/nmm (129) | ✔ | 6 | 36 | 1 | 2.138 | 2.138 | 0.000 | (0;000) | ✗ | 29/03/17 |
| K3MoHS4O | ICSD | 425985 | Pmn2_1 (31) | ✗ | 20 | 144 | 1 | 2.0081 | 2.008 | 0.000 | (0;000) | ✗ | 29/03/17 |
| MgPHO9 | COD | 9007436 | R3 (146) | ✗ | 12 | 70 | 1 | 0.0 | 0.009 | 0.216 | (0;000) | ✔ | 29/03/17 |
| Zn(IO3)2 | ICSD | 54086 | P2_1 (4) | ✗ | 18 | 124 | 3 | 3.0326 | 3.175 | 0.000 | (0;000) | ✗ | 29/03/17 |
| TiI2O7 | ICSD | 424632 | Cmc2_1 (36) | ✗ | 20 | 136 | 1 | 2.5622 | 2.680 | 0.000 | (0;000) | ✗ | 29/03/17 |
| PbI2 | ICSD | 23762 | P3m1 (156) | ✗ | 15 | 140 | 1 | 1.4309 | 1.431 | 0.000 | (0;000) | ✗ | 29/03/17 |
| PbI2 | ICSD | 60327 | P6_3mc (186) | ✗ | 12 | 112 | 1 | 1.5152 | 1.581 | 0.000 | (0;000) | ✗ | 29/03/17 |
| PbI2 | COD | 9009141 | P3m1 (156) | ✗ | 9 | 84 | 1 | 1.4418 | 1.442 | 0.000 | (0;000) | ✗ | 29/03/17 |
| MnTlI3 | ICSD | 26421 | Pnma (62) | ✔ | 20 | 196 | 2 | 0.0 | 0.000 | 0.258 | (0;011) | ✗ | 29/03/17 |
| Tl2ZnI4 | ICSD | 37099 | P2_1 (4) | ✗ | 14 | 132 | 3 | 2.233 | 2.334 | 0.000 | (0;000) | ✗ | 29/03/17 |
| K2ReI6 | COD | 4313464 | Pc (7) | ✗ | 18 | 150 | 1 | 0.0 | 0.000 | 0.860 | ? | ✗ | 29/03/17 |
| KIO3 | COD | 1530118 | P1 (1) | ✗ | 20 | 136 | 1 | 2.8982 | 2.899 | 0.000 | (0;000) | ✗ | 29/03/17 |
| LiMoIO6 | ICSD | 156006 | P2_1 (4) | ✗ | 18 | 120 | 2 | 2.2705 | 2.378 | 0.000 | (0;000) | ✗ | 29/03/17 |
| LiIO3 | COD | 1529780 | Pna2_1 (33) | ✗ | 20 | 112 | 1 | 2.9993 | 3.003 | 0.000 | (0;000) | ✗ | 29/03/17 |
| Sr4In2N | ICSD | 62536 | I4_1/amd (141) | ✔ | 14 | 142 | 1 | 0.0 | 0.000 | 0.891 | (1;111) | ✗ | 29/03/17 |
| Sr2In2O5 | COD | 2002271 | Ima2 (46) | ✗ | 18 | 152 | 3 | 1.2457 | 1.246 | 0.000 | (0;000) | ✗ | 29/03/17 |
| In2Te3 | ICSD | 44364 | I4mm (107) | ✗ | 15 | 132 | 3 | 0.0 | 0.000 | 0.429 | ? | ✗ | 29/03/17 |
| In2Te5 | ICSD | 640615 | Cc (9) | ✗ | 14 | 112 | 2 | 0.8149 | 0.931 | 0.000 | (0;000) | ✗ | 29/03/17 |
| ZrIn2 | ICSD | 640720 | I4_1/amd (141) | ✔ | 12 | 120 | 3 | 0.0 | 0.016 | 0.551 | (1;111) | ✗ | 29/03/17 |
| TlIn3S5 | ICSD | 402124 | C2/m (12) | ✔ | 18 | 164 | 3 | 1.729 | 1.829 | 0.000 | (0;000) | ✗ | 29/03/17 |
| K2SrIn7 | ICSD | 165188 | Cmcm (63) | ✔ | 20 | 238 | 3 | 0.0 | 0.000 | 0.850 | (1;110) | ✗ | 29/03/17 |
| NaIO3 | COD | 1530808 | Pna2_1 (33) | ✗ | 20 | 136 | 1 | 2.1927 | 2.211 | 0.000 | (0;000) | ✗ | 29/03/17 |
| KInP2S7 | ICSD | 91755 | C2 (5) | ✗ | 11 | 74 | 2 | 2.1891 | 2.189 | 0.000 | (0;000) | ✗ | 29/03/17 |
| LiInS2 | COD | 1508502 | Pna2_1 (33) | ✗ | 16 | 112 | 3 | 2.3606 | 2.361 | 0.000 | (0;000) | ✗ | 29/03/17 |
| LiInSe2 | ICSD | 639900 | Pna2_1 (33) | ✗ | 16 | 112 | 3 | 1.9573 | 1.958 | 0.000 | (0;000) | ✗ | 29/03/17 |
| LiInTe2 | ICSD | 658016 | I-42d (122) | ✗ | 8 | 56 | 3 | 1.349 | 1.349 | 0.000 | (0;000) | ✗ | 29/03/17 |
| RbSnIO6 | ICSD | 73614 | P6_322 (182) | ✗ | 18 | 132 | 2 | 0.7204 | 0.868 | 0.000 | (0;000) | ✗ | 29/03/17 |