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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 |
| Li2MgIr | ICSD | 180119 | P-43m (215) | ✗ | 16 | 132 | 3 | 0.0 | 0.000 | 0.843 | ? | ✗ | 29/03/17 |
| Mn3SiIr | ICSD | 151749 | P2_13 (198) | ✗ | 20 | 264 | 3 | 0.0 | 0.001 | 0.472 | ? | ✗ | 29/03/17 |
| SbIrSe | ICSD | 640966 | P2_13 (198) | ✗ | 12 | 112 | 3 | 3.5112 | 1.511 | 1.000 | (0;000) | ✗ | 29/03/17 |
| SbTeIr | ICSD | 640967 | P2_13 (198) | ✗ | 12 | 112 | 3 | 1.0495 | 1.421 | 0.000 | (0;000) | ✗ | 29/03/17 |
| Sn4Ir | ICSD | 412573 | I4_1/acd (142) | ✔ | 20 | 292 | 3 | 0.0 | 0.003 | 0.491 | (1;111) | ✗ | 29/03/17 |
| ZrSnIr | ICSD | 408901 | P-62c (190) | ✗ | 18 | 210 | 3 | 0.0 | 0.000 | 0.498 | ? | ✗ | 29/03/17 |
| Zr3Ir | COD | 2020030 | I-42m (121) | ✗ | 16 | 116 | 3 | 0.0 | 0.005 | 0.664 | ? | ✗ | 29/03/17 |
| K2Sr(PO3)4 | COD | 1007253 | I-4 (82) | ✗ | 19 | 120 | 1 | 5.7815 | 5.822 | 0.000 | (0;000) | ✗ | 29/03/17 |
| K2Pb2O3 | COD | 1527769 | I2_13 (199) | ✗ | 14 | 128 | 3 | 1.0401 | 1.048 | 0.000 | (0;000) | ✗ | 29/03/17 |
| K2Sn2O3 | ICSD | 40463 | I2_13 (199) | ✗ | 14 | 128 | 3 | 0.9897 | 0.999 | 0.000 | (0;000) | ✗ | 29/03/17 |
| K2SrTa2O7 | ICSD | 93492 | I4/mmm (139) | ✔ | 12 | 96 | 1 | 2.1211 | 2.584 | 0.000 | (0;000) | ✗ | 29/03/17 |
| K2Pd3S4 | ICSD | 41885 | Fddd (70) | ✔ | 18 | 192 | 1 | 1.2068 | 1.313 | 0.000 | (0;000) | ✗ | 29/03/17 |
| K2Pd3Se4 | ICSD | 641300 | Fddd (70) | ✔ | 18 | 192 | 1 | 0.994 | 1.098 | 0.000 | (0;000) | ✗ | 29/03/17 |
| K2S3 | COD | 1527162 | Cmc2_1 (36) | ✗ | 10 | 72 | 1 | 1.3067 | 1.366 | 0.000 | (0;000) | ✗ | 29/03/17 |
| K2SnTe5 | ICSD | 36215 | I4cm (108) | ✗ | 16 | 124 | 1 | 0.5639 | 0.565 | 0.000 | (0;000) | ✗ | 29/03/17 |
| K3NO3 | ICSD | 37204 | I4cm (108) | ✗ | 14 | 100 | 1 | 0.4742 | 0.571 | 0.000 | (0;000) | ✔ | 29/03/17 |
| K3SbS4 | ICSD | 402642 | Cmc2_1 (36) | ✗ | 16 | 112 | 1 | 2.3264 | 2.327 | 0.000 | (0;000) | ✗ | 29/03/17 |
| K3SbSe4 | ICSD | 65142 | R3c (161) | ✗ | 16 | 112 | 1 | 1.575 | 1.576 | 0.000 | (0;000) | ✗ | 29/03/17 |
| KLiSi2O5 | COD | 2101610 | P2_1 (4) | ✗ | 18 | 100 | 3 | 4.9846 | 5.054 | 0.000 | (0;000) | ✗ | 29/03/17 |
| KNi(PO3)3 | ICSD | 91527 | R3 (146) | ✗ | 14 | 88 | 3 | 0.0 | 0.000 | 0.653 | ? | ✗ | 29/03/17 |
| KZn4(SbO4)3 | ICSD | 421547 | R3 (146) | ✗ | 20 | 144 | 3 | 2.0098 | 2.183 | 0.000 | (0;000) | ✗ | 29/03/17 |
| KSb(PS3)2 | COD | 8100520 | P2_1 (4) | ✗ | 20 | 120 | 2 | 2.212 | 2.233 | 0.000 | (0;000) | ✗ | 29/03/17 |
| KVP2S7 | ICSD | 91756 | C2 (5) | ✗ | 11 | 74 | 2 | 0.0 | 0.009 | 0.724 | ? | ✗ | 29/03/17 |
| KSb(PSe3)2 | ICSD | 90152 | P2_1 (4) | ✗ | 20 | 120 | 3 | 1.769 | 1.795 | 0.000 | (0;000) | ✗ | 29/03/17 |
| KP | COD | 1528278 | P2_12_12_1 (19) | ✗ | 16 | 112 | 1 | 1.2133 | 1.213 | 0.000 | (0;000) | ✗ | 29/03/17 |
| KYSiS4 | ICSD | 602576 | P2_1 (4) | ✗ | 14 | 96 | 1 | 2.8007 | 2.819 | 0.000 | (0;000) | ✗ | 29/03/17 |
| K(SnSe2)2 | ICSD | 72386 | Cm (8) | ✗ | 14 | 122 | 3 | 1.3797 | 1.505 | 0.000 | (0;000) | ✗ | 29/03/17 |
| KSe | ICSD | 73172 | P-62m (189) | ✗ | 12 | 90 | 1 | 0.7078 | 1.190 | 0.000 | (0;000) | ✗ | 29/03/17 |
| KS | ICSD | 73171 | P-62m (189) | ✗ | 12 | 90 | 1 | 1.4274 | 1.780 | 0.000 | (0;000) | ✗ | 29/03/17 |
| Li2Ta3N5 | ICSD | 40568 | C2/m (12) | ✔ | 20 | 140 | 3 | 0.0 | 0.029 | 0.624 | (0;000) | ✗ | 29/03/17 |
| SrLi2Nb2O7 | ICSD | 88463 | I4/mmm (139) | ✔ | 12 | 84 | 2 | 1.7886 | 2.155 | 0.000 | (0;000) | ✗ | 29/03/17 |
| Li2Ni(WO4)2 | ICSD | 92853 | P-1 (2) | ✔ | 13 | 92 | 3 | 0.0 | 0.055 | 1.000 | (0;001) | ✗ | 29/03/17 |
| Li2WO4 | COD | 1527546 | C2/c (15) | ✔ | 14 | 88 | 1 | 10.5063 | 0.003 | 1.000 | (0;000) | ✗ | 29/03/17 |
| Li2Si2O5 | COD | 2003027 | Ccc2 (37) | ✗ | 18 | 88 | 1 | 5.4712 | 5.559 | 0.000 | (0;000) | ✗ | 29/03/17 |
| Li2SnTeO6 | ICSD | 40265 | Pnn2 (34) | ✗ | 20 | 124 | 3 | 1.5928 | 1.593 | 0.000 | (0;000) | ✗ | 29/03/17 |
| SrLi2Ta2O7 | ICSD | 88464 | I4/mmm (139) | ✔ | 12 | 84 | 2 | 2.1506 | 2.600 | 0.000 | (0;000) | ✗ | 29/03/17 |
| Li2ZnSnS4 | ICSD | 419595 | Pc (7) | ✗ | 16 | 112 | 3 | 2.3813 | 2.381 | 0.000 | (0;000) | ✗ | 29/03/17 |
| Li2Sb | COD | 7221229 | P-62c (190) | ✗ | 18 | 66 | 1 | 0.0 | 0.000 | 0.835 | ? | ✗ | 29/03/17 |
| Li2SnSe3 | COD | 4001782 | Cc (9) | ✗ | 12 | 76 | 1 | 1.4145 | 1.415 | 0.000 | (0;000) | ✗ | 29/03/17 |
| Sr3Li2 | COD | 1528178 | P4_2/mnm (136) | ✔ | 20 | 144 | 1 | 0.0 | 0.000 | 0.522 | (1;000) | ✗ | 29/03/17 |
| Li3Ni2SbO6 | ICSD | 183999 | C2/m (12) | ✔ | 12 | 70 | 2 | 0.0 | 0.005 | 0.390 | (0;000) | ✗ | 29/03/17 |
| Li3(ZnSn2)2 | COD | 4334091 | P6_3/mmc (194) | ✔ | 18 | 178 | 3 | 0.0 | 0.000 | 0.930 | (0;000) | ✗ | 29/03/17 |
| SrLi4N2 | ICSD | 87413 | I4_1/amd (141) | ✔ | 14 | 64 | 1 | 0.9167 | 1.149 | 0.000 | (0;000) | ✗ | 29/03/17 |
| Li4TeO5 | COD | 1530934 | P-1 (2) | ✔ | 20 | 96 | 3 | 0.0 | 0.023 | 0.455 | (0;000) | ✗ | 29/03/17 |
| Li4WO5 | ICSD | 108819 | P-1 (2) | ✔ | 20 | 112 | 1 | 10.2285 | 3.381 | 1.000 | (0;000) | ✗ | 29/03/17 |
| Li4SiPt3 | ICSD | 186537 | R32 (155) | ✗ | 16 | 92 | 3 | 0.0 | 0.008 | 0.538 | ? | ✗ | 29/03/17 |
| LiMnO2 | COD | 1513963 | I4_1/amd (141) | ✔ | 16 | 120 | 3 | 0.0 | 0.001 | 0.726 | (1;111) | ✗ | 29/03/17 |
| RbLiMoO4 | ICSD | 20641 | Cc (9) | ✗ | 14 | 100 | 1 | 4.634 | 4.651 | 0.000 | (0;000) | ✗ | 29/03/17 |
| Na3LiWO5 | ICSD | 49027 | P-1 (2) | ✔ | 20 | 148 | 1 | 10.5658 | 0.029 | 1.000 | (0;000) | ✗ | 29/03/17 |
| LiNbWO6 | COD | 1000069 | P-42_1m (113) | ✗ | 18 | 132 | 1 | 2.5176 | 2.607 | 0.000 | (0;000) | ✗ | 29/03/17 |