| ▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▴ ν | wcc | ▹ updated |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| RbPbI3 | ICSD | 161482 | Pnma (62) | ✔ | 20 | 176 | 2 | 1.8148 | 1.861 | 0.000 | (0;000) | ✗ | 02/02/17 |
| TlPbI3 | COD | 7221381 | Cmcm (63) | ✔ | 10 | 96 | 3 | 1.3367 | 1.337 | 0.000 | (0;000) | ✗ | 02/02/17 |
| PtI3 | ICSD | 47120 | C2/c (15) | ✔ | 16 | 124 | 3 | 0.302 | 0.302 | 0.000 | (0;000) | ✗ | 02/02/17 |
| RbSnI3 | ICSD | 400934 | Pnma (62) | ✔ | 20 | 176 | 2 | 1.8086 | 1.882 | 0.000 | (0;000) | ✗ | 02/02/17 |
| RbI3 | ICSD | 61348 | Pnma (62) | ✔ | 16 | 120 | 1 | 1.6576 | 1.668 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Te6RhI3 | ICSD | 423671 | R-3c (167) | ✔ | 20 | 148 | 3 | 0.8169 | 0.835 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Y3RuI3 | ICSD | 71523 | P2_1/m (11) | ✔ | 14 | 140 | 3 | 0.0 | 0.014 | 0.051 | (0;000) | ✗ | 02/02/17 |
| Sn2SbS2I3 | ICSD | 23344 | Cmcm (63) | ✔ | 16 | 132 | 2 | 0.3236 | 0.363 | 0.000 | (0;000) | ✗ | 02/02/17 |
| SbI3 | ICSD | 30906 | P2_1/c (14) | ✔ | 16 | 104 | 1 | 2.0113 | 2.049 | 0.000 | (0;000) | ✗ | 02/02/17 |
| SiI3 | COD | 2019712 | R-3 (148) | ✔ | 8 | 50 | 1 | 2.7095 | 2.751 | 0.000 | (0;000) | ✗ | 02/02/17 |
| TlI3 | ICSD | 61349 | Pnma (62) | ✔ | 16 | 136 | 1 | 1.333 | 1.387 | 0.000 | (0;000) | ✗ | 02/02/17 |
| YI3 | COD | 2206574 | R-3 (148) | ✔ | 8 | 64 | 2 | 2.4264 | 2.773 | 0.000 | (0;000) | ✗ | 02/02/17 |
| ZrI3 | COD | 5910008 | P6_3/mcm (193) | ✔ | 8 | 50 | 1 | 0.0 | 0.000 | 0.593 | (0;000) | ✗ | 02/02/17 |
| LiIn(IO3)4 | ICSD | 422056 | P-1 (2) | ✔ | 18 | 116 | 2 | 3.3117 | 3.326 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Rb2ZnI4 | ICSD | 56425 | P2_1/m (11) | ✔ | 14 | 116 | 1 | 2.8761 | 2.876 | 0.000 | (0;000) | ✗ | 02/02/17 |
| TaI4 | ICSD | 391406 | P-1 (2) | ✔ | 20 | 164 | 1 | 0.3932 | 0.556 | 0.000 | (0;000) | ✗ | 02/02/17 |
| ZrI4 | ICSD | 62243 | P-1 (2) | ✔ | 20 | 128 | 1 | 1.0239 | 1.068 | 0.000 | (0;000) | ✗ | 02/02/17 |
| InPb2I5 | ICSD | 151997 | I4/mcm (140) | ✔ | 16 | 152 | 2 | 1.2846 | 1.323 | 0.000 | (0;000) | ✗ | 02/02/17 |
| InSn2I5 | ICSD | 151996 | I4/mcm (140) | ✔ | 16 | 152 | 3 | 0.9578 | 0.958 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Li2MgBr4 | ICSD | 73276 | Cmmm (65) | ✔ | 7 | 44 | 2 | 4.4109 | 4.411 | 0.000 | (0;000) | ✗ | 27/01/17 |
| K2PtI6 | ICSD | 37190 | P4/mnc (128) | ✔ | 18 | 140 | 1 | 0.5268 | 0.605 | 0.000 | (0;000) | ✗ | 02/02/17 |
| K2TcI6 | ICSD | 65510 | P2_1/c (14) | ✔ | 18 | 150 | 1 | 0.0 | 0.000 | 0.897 | (0;000) | ✗ | 02/02/17 |
| K2TeI6 | ICSD | 23649 | P2_1/c (14) | ✔ | 18 | 132 | 1 | 1.4052 | 1.537 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Pb5(SI3)2 | ICSD | 25304 | C2/m (12) | ✔ | 13 | 124 | 3 | 1.2818 | 1.326 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Rb2PdI6 | COD | 1526585 | Fm-3m (225) | ✔ | 9 | 78 | 1 | 0.0 | 0.222 | 0.082 | (0;000) | ✗ | 02/02/17 |
| Rb2PtI6 | ICSD | 37191 | Fm-3m (225) | ✔ | 9 | 70 | 1 | 0.2675 | 0.453 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Rb2SnI6 | COD | 1010052 | Fm-3m (225) | ✔ | 9 | 74 | 2 | 0.1036 | 0.104 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Rb2TeI6 | ICSD | 36009 | P4/mnc (128) | ✔ | 18 | 132 | 1 | 1.152 | 1.419 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Tl2TeI6 | ICSD | 99128 | P2_1/c (14) | ✔ | 18 | 148 | 3 | 1.2944 | 1.353 | 0.000 | (0;000) | ✗ | 02/02/17 |
| InTeI | COD | 1525202 | P2_1/c (14) | ✔ | 12 | 104 | 2 | 1.3786 | 1.379 | 0.000 | (0;000) | ✗ | 02/02/17 |
| KIO4 | ICSD | 26964 | I4_1/a (88) | ✔ | 12 | 80 | 3 | 0.0835 | 0.084 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Ca2H3Br | ICSD | 420928 | P-3m1 (164) | ✔ | 6 | 30 | 1 | 1.2757 | 1.483 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Li7IN2 | COD | 1528849 | Fd-3m (227) | ✔ | 20 | 76 | 3 | 0.0 | 0.006 | 0.914 | (0;000) | ✗ | 02/02/17 |
| Fe2B | ICSD | 16809 | I-42m (121) | ✗ | 6 | 38 | 3 | 0.0 | 0.009 | 0.613 | (0;000) | ✔ | 06/10/16 |
| Ca2BrN | ICSD | 153105 | R-3m (166) | ✔ | 4 | 32 | 1 | 2.4019 | 2.402 | 0.000 | (0;000) | ✗ | 27/01/17 |
| CaHBr | COD | 9009166 | P4/nmm (129) | ✔ | 6 | 36 | 1 | 3.6383 | 4.028 | 0.000 | (0;000) | ✗ | 27/01/17 |
| MgIn2 | ICSD | 423608 | Fd-3m (227) | ✔ | 6 | 72 | 3 | 0.0 | 0.000 | 0.566 | (0;000) | ✗ | 02/02/17 |
| Mg(InS2)2 | COD | 9012321 | Fd-3m (227) | ✔ | 14 | 120 | 3 | 1.9394 | 1.939 | 0.000 | (0;000) | ✗ | 02/02/17 |
| OsCl4 | COD | 4343760 | Cmmm (65) | ✔ | 5 | 44 | 1 | 0.0 | 0.322 | 0.353 | (0;000) | ✗ | 27/01/17 |
| Mn(InS2)2 | COD | 9012325 | Fd-3m (227) | ✔ | 14 | 130 | 3 | 0.0 | 0.000 | 0.764 | (0;000) | ✗ | 02/02/17 |
| In2NiS4 | ICSD | 640128 | Fd-3m (227) | ✔ | 14 | 120 | 3 | 0.0 | 0.000 | 0.617 | (0;000) | ✗ | 02/02/17 |
| Sr(InP)2 | COD | 2017324 | P6_3/mmc (194) | ✔ | 10 | 92 | 2 | 0.3909 | 0.391 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Sr3(InP2)2 | ICSD | 61335 | Pnnm (58) | ✔ | 18 | 152 | 1 | 0.6327 | 0.633 | 0.000 | (0;000) | ✗ | 02/02/17 |
| P2W | ICSD | 37224 | C2/m (12) | ✔ | 6 | 48 | 3 | 0.0 | 0.081 | 0.199 | (0;000) | ✔ | 06/10/16 |
| In2S3 | COD | 7221366 | R-3c (167) | ✔ | 10 | 88 | 3 | 0.5499 | 0.778 | 0.000 | (0;000) | ✗ | 02/02/17 |
| NbPt3 | ICSD | 645212 | Pmmn (59) | ✔ | 8 | 86 | 3 | 0.0 | 0.000 | 0.825 | (0;000) | ✗ | 27/01/17 |
| Zn(InS2)2 | COD | 7221365 | Fd-3m (227) | ✔ | 14 | 124 | 3 | 0.5331 | 0.729 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Sr(InTe2)2 | ICSD | 41167 | Cccm (66) | ✔ | 14 | 120 | 2 | 0.6006 | 1.136 | 0.000 | (0;000) | ✗ | 02/02/17 |
| In2HgSe4 | ICSD | 25649 | I-4 (82) | ✗ | 7 | 62 | 3 | 0.5886 | 0.589 | 0.000 | (0;000) | ✗ | 06/10/16 |
| In3Ir | ICSD | 407548 | P4_2/mnm (136) | ✔ | 16 | 224 | 3 | 0.0 | 0.008 | 0.307 | (0;000) | ✗ | 02/02/17 |
| In3Pd5 | ICSD | 417906 | Pbam (55) | ✔ | 16 | 258 | 3 | 0.0 | 0.000 | 0.890 | (0;000) | ✗ | 02/02/17 |
| CrSBr | ICSD | 69659 | Pmmn (59) | ✔ | 6 | 54 | 2 | 0.0 | 0.000 | 0.938 | (0;000) | ✗ | 27/01/17 |
| Rb2IN3 | ICSD | 202078 | P4/mbm (127) | ✔ | 12 | 80 | 1 | 3.9037 | 3.904 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Rb2In3 | ICSD | 370026 | I4/mmm (139) | ✔ | 10 | 114 | 2 | 0.0406 | 0.042 | 0.000 | (0;000) | ✗ | 02/02/17 |
| In3Rh | ICSD | 640336 | P4_2/mnm (136) | ✔ | 16 | 224 | 3 | 0.0 | 0.018 | 0.342 | (0;000) | ✗ | 02/02/17 |
| In3Ru | ICSD | 640343 | P4_2/mnm (136) | ✔ | 16 | 220 | 3 | 0.0 | 0.579 | 0.048 | (0;000) | ✗ | 02/02/17 |
| In3S4 | ICSD | 640361 | Fd-3m (227) | ✔ | 14 | 126 | 3 | 0.0 | 0.000 | 0.961 | (0;000) | ✗ | 02/02/17 |
| Sr5In3 | ICSD | 640583 | I4/mcm (140) | ✔ | 16 | 178 | 1 | 0.0 | 0.004 | 0.654 | (0;000) | ✗ | 02/02/17 |
| SrIn3 | ICSD | 640581 | P6_3/mmc (194) | ✔ | 8 | 98 | 3 | 0.0 | 0.000 | 0.939 | (0;000) | ✗ | 02/02/17 |
| Y5In3 | ICSD | 640690 | P6_3/mcm (193) | ✔ | 16 | 188 | 3 | 0.0 | 0.001 | 0.297 | (0;000) | ✗ | 02/02/17 |
| CsBrF6 | ICSD | 65712 | R-3 (148) | ✔ | 8 | 58 | 1 | 4.0018 | 4.002 | 0.000 | (0;000) | ✗ | 27/01/17 |
| SrIn4Ni | ICSD | 418178 | Cmcm (63) | ✔ | 12 | 144 | 3 | 0.0 | 0.013 | 0.790 | (0;000) | ✗ | 02/02/17 |
| AlRh | ICSD | 609214 | Pm-3m (221) | ✔ | 2 | 20 | 3 | 0.0 | 0.047 | 0.337 | (0;000) | ✗ | 05/01/17 |
| CsBr | COD | 9008788 | Pm-3m (221) | ✔ | 2 | 16 | 1 | 4.492 | 4.492 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Sr2CuBrO2 | COD | 2002429 | R-3m (166) | ✔ | 6 | 50 | 1 | 2.4164 | 2.627 | 0.000 | (0;000) | ✗ | 27/01/17 |
| SrIn4 | ICSD | 240135 | C2/m (12) | ✔ | 10 | 124 | 3 | 0.0 | 0.045 | 0.587 | (0;000) | ✗ | 02/02/17 |
| In2HgTe4 | ICSD | 25652 | I-4 (82) | ✗ | 7 | 62 | 3 | 0.3925 | 0.393 | 0.000 | (0;000) | ✔ | 06/10/16 |
| KIn5S8 | ICSD | 40875 | C2/m (12) | ✔ | 14 | 122 | 3 | 1.4591 | 1.552 | 0.000 | (0;000) | ✗ | 02/02/17 |
| RbIn5S8 | ICSD | 40877 | C2/m (12) | ✔ | 14 | 122 | 3 | 1.5186 | 1.658 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CuBr | COD | 9013931 | P4/nmm (129) | ✔ | 4 | 36 | 2 | 0.7515 | 0.752 | 0.000 | (0;000) | ✗ | 27/01/17 |
| In2HgTe4 | ICSD | 639056 | I-4 (82) | ✗ | 7 | 62 | 3 | 0.4199 | 0.420 | 0.000 | (0;000) | ✔ | 06/10/16 |
| PbBrF | COD | 9009175 | P4/nmm (129) | ✔ | 6 | 56 | 2 | 2.2754 | 2.275 | 0.000 | (0;000) | ✗ | 27/01/17 |
| In6TeO12 | ICSD | 245526 | R-3 (148) | ✔ | 19 | 156 | 3 | 1.442 | 1.525 | 0.000 | (0;000) | ✗ | 02/02/17 |
| In6WO12 | COD | 1001180 | R-3 (148) | ✔ | 19 | 164 | 3 | 2.2144 | 2.226 | 0.000 | (0;000) | ✗ | 02/02/17 |
| SrBrF | ICSD | 35392 | P4/nmm (129) | ✔ | 6 | 48 | 1 | 5.0428 | 5.043 | 0.000 | (0;000) | ✗ | 27/01/17 |
| P4Ru | ICSD | 648018 | P2_1/c (14) | ✔ | 10 | 72 | 3 | 0.7523 | 0.752 | 0.000 | (0;000) | ✗ | 27/01/17 |
| SrHgO2 | ICSD | 69739 | P3_2 (145) | ✗ | 12 | 102 | 2 | 2.4955 | 2.570 | 0.000 | (0;000) | ✗ | 06/10/16 |
| NaIO3 | COD | 1530853 | Pnma (62) | ✔ | 20 | 136 | 1 | 3.7298 | 3.969 | 0.000 | (0;000) | ✗ | 02/02/17 |
| NaPb2IO6 | ICSD | 428081 | P2_1/c (14) | ✔ | 20 | 160 | 3 | 1.8412 | 1.841 | 0.000 | (0;000) | ✗ | 02/02/17 |
| NaSr2IO6 | ICSD | 425447 | P2_1/c (14) | ✔ | 20 | 144 | 3 | 2.1609 | 2.225 | 0.000 | (0;000) | ✗ | 02/02/17 |
| NbIO2 | ICSD | 418061 | Pnma (62) | ✔ | 16 | 128 | 2 | 1.1368 | 1.320 | 0.000 | (0;000) | ✗ | 02/02/17 |
| K2NaInP2 | ICSD | 300132 | Ibam (72) | ✔ | 12 | 100 | 1 | 1.1336 | 1.138 | 0.000 | (0;000) | ✗ | 02/02/17 |
| K3InP2 | ICSD | 300141 | Ibam (72) | ✔ | 12 | 100 | 1 | 0.8449 | 0.857 | 0.000 | (0;000) | ✗ | 02/02/17 |
| K5InPb8 | ICSD | 152384 | R-3m (166) | ✔ | 14 | 170 | 3 | 0.1468 | 0.186 | 0.000 | (0;000) | ✗ | 02/02/17 |
| KInTe2 | COD | 2001367 | I4/mcm (140) | ✔ | 8 | 68 | 1 | 0.9234 | 1.267 | 0.000 | (0;000) | ✗ | 02/02/17 |
| LiIn(SiO3)2 | COD | 9008457 | C2/c (15) | ✔ | 20 | 120 | 3 | 4.0232 | 4.156 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Mg3In | ICSD | 51976 | R-3m (166) | ✔ | 16 | 172 | 3 | 0.0 | 0.018 | 0.766 | (0;000) | ✗ | 02/02/17 |
| In(MoSe)3 | ICSD | 53098 | P6_3/m (176) | ✔ | 14 | 146 | 3 | 0.0 | 0.000 | 0.307 | (0;000) | ✗ | 02/02/17 |
| In(MoSe)3 | ICSD | 640016 | P6_3/m (176) | ✔ | 14 | 146 | 3 | 0.0 | 0.000 | 0.311 | (0;000) | ✗ | 02/02/17 |
| Na5InO4 | ICSD | 69630 | Pmmn (59) | ✔ | 20 | 164 | 1 | 1.8792 | 1.879 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Na5InS4 | ICSD | 300175 | P2_1/m (11) | ✔ | 20 | 164 | 1 | 2.067 | 2.067 | 0.000 | (0;000) | ✗ | 02/02/17 |
| NaIn(SiO3)2 | COD | 9003413 | C2/c (15) | ✔ | 20 | 132 | 3 | 2.9551 | 3.020 | 0.000 | (0;000) | ✗ | 02/02/17 |
| NaInTe2 | ICSD | 25346 | I4/mcm (140) | ✔ | 8 | 68 | 1 | 0.7113 | 0.926 | 0.000 | (0;000) | ✗ | 02/02/17 |
| TiHgO3 | ICSD | 19005 | R-3c (167) | ✔ | 10 | 84 | 3 | 1.4258 | 1.426 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Nb3InTe4 | ICSD | 640060 | P6_3/m (176) | ✔ | 16 | 152 | 3 | 0.0 | 0.001 | 0.869 | (0;000) | ✗ | 02/02/17 |
| Sr2NbInO6 | ICSD | 99696 | P2_1/c (14) | ✔ | 20 | 164 | 3 | 3.8346 | 3.882 | 0.000 | (0;000) | ✗ | 02/02/17 |
| InRhO3 | ICSD | 237351 | Pnma (62) | ✔ | 20 | 192 | 3 | 0.3662 | 0.493 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Sr2InSbO6 | ICSD | 154032 | P2_1/c (14) | ✔ | 20 | 148 | 3 | 2.0189 | 2.019 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Sr2TaInO6 | ICSD | 188417 | P2_1/c (14) | ✔ | 20 | 164 | 3 | 4.2964 | 4.316 | 0.000 | (0;000) | ✗ | 02/02/17 |
| TlIn(PSe3)2 | COD | 4000513 | P-1 (2) | ✔ | 20 | 144 | 3 | 1.4879 | 1.591 | 0.000 | (0;000) | ✗ | 02/02/17 |