| ▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▴ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| FeP2 | ICSD | 633072 | Pnnm (58) | ✔ | 6 | 36 | 3 | 0.3465 | 0.782 | 0.000 | (0;000) | ✗ | 27/01/17 |
| CuBr | ICSD | 30091 | P6_3/mmc (194) | ✔ | 4 | 36 | 3 | 0.4343 | 0.434 | 0.000 | (0;000) | ✔ | 27/01/17 |
| BaFeO3 | ICSD | 28917 | Pm-3m (221) | ✔ | 5 | 36 | 3 | 0.0 | 0.000 | 0.819 | (1;000) | ✗ | 06/10/16 |
| TiS | COD | 9008918 | P6_3/mmc (194) | ✔ | 4 | 36 | 3 | 0.0 | 0.002 | 0.326 | (0;000) | ✗ | 27/01/17 |
| RbLiS | ICSD | 67254 | P4/nmm (129) | ✔ | 6 | 36 | 1 | 2.8523 | 2.922 | 0.000 | (0;000) | ✗ | 27/01/17 |
| ScAlGe | ICSD | 608009 | Cmcm (63) | ✔ | 6 | 36 | 3 | 0.0 | 0.009 | 0.328 | (0;110) | ✗ | 05/01/17 |
| AgBr | COD | 9011692 | P2_1/m (11) | ✔ | 4 | 36 | 3 | 0.178 | 1.794 | 0.000 | (0;000) | ✗ | 05/01/17 |
| SrFeO3 | ICSD | 92335 | Pm-3m (221) | ✔ | 5 | 36 | 3 | 0.0 | 0.000 | 0.858 | (1;000) | ✗ | 27/01/17 |
| ZrSb | ICSD | 107692 | P2_13 (198) | ✗ | 8 | 36 | 3 | 0.0 | 0.000 | 0.726 | ? | ✗ | 15/02/17 |
| CdHg2 | ICSD | 58982 | I4/mmm (139) | ✔ | 3 | 36 | 3 | 0.0 | 0.036 | 0.602 | (1;000) | ✗ | 27/01/17 |
| Li2O2 | COD | 1514089 | P6_3/mmc (194) | ✔ | 8 | 36 | 1 | 1.6247 | 1.625 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Li2O2 | COD | 1514085 | P6_3/mmc (194) | ✔ | 8 | 36 | 3 | 0.0 | 0.017 | 0.358 | (1;000) | ✗ | 27/01/17 |
| TiSnPt | COD | 1522660 | F-43m (216) | ✗ | 3 | 36 | 3 | 0.7164 | 1.396 | 0.000 | (0;000) | ✗ | 15/02/17 |
| Li2O2 | COD | 1514083 | P6_3/mmc (194) | ✔ | 8 | 36 | 2 | 2.7158 | 2.716 | 0.000 | (0;000) | ✗ | 27/01/17 |
| FeGe | ICSD | 632016 | P6/mmm (191) | ✔ | 6 | 36 | 3 | 0.0 | 0.005 | 0.874 | (0;001) | ✗ | 27/01/17 |
| CdHgO2 | COD | 2002689 | C2/m (12) | ✔ | 4 | 36 | 3 | 0.8009 | 0.840 | 0.000 | (0;000) | ✗ | 27/01/17 |
| LiBO2 | ICSD | 34256 | I-42d (122) | ✗ | 8 | 36 | 3 | 7.3954 | 7.536 | 0.000 | (0;000) | ✗ | 07/10/16 |
| SrLiP | ICSD | 416889 | P6_3/mmc (194) | ✔ | 6 | 36 | 1 | 1.3152 | 1.464 | 0.000 | (0;000) | ✗ | 27/01/17 |
| ZrSnPd | COD | 1523924 | F-43m (216) | ✗ | 3 | 36 | 3 | 0.0 | 0.649 | 0.084 | (0;000) | ✔ | 15/02/17 |
| S | COD | 9008578 | R-3 (148) | ✔ | 6 | 36 | 1 | 2.1417 | 2.167 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Hf2Cd | ICSD | 619965 | I4/mmm (139) | ✔ | 3 | 36 | 3 | 0.0 | 0.097 | 0.496 | (0;111) | ✗ | 27/01/17 |
| CdS | ICSD | 60570 | Pmmn (59) | ✔ | 4 | 36 | 1 | 0.0 | 0.040 | 0.074 | (1;000) | ✗ | 27/01/17 |
| TlAgTe2 | ICSD | 43284 | I-4m2 (119) | ✗ | 4 | 36 | 3 | 0.0 | 0.011 | 0.932 | (1;111) | ✔ | 07/10/16 |
| RbLiSe | ICSD | 78878 | P4/nmm (129) | ✔ | 6 | 36 | 1 | 2.2723 | 2.337 | 0.000 | (0;000) | ✗ | 27/01/17 |
| CaGe2 | ICSD | 619304 | R-3m (166) | ✔ | 6 | 36 | 1 | 0.0 | 0.027 | 0.180 | (1;000) | ✗ | 27/01/17 |
| TaN | COD | 9008876 | P6_3mc (186) | ✗ | 4 | 36 | 3 | 0.0 | 0.000 | 0.460 | ? | ✗ | 15/02/17 |
| YPbAu | COD | 1510271 | F-43m (216) | ✗ | 3 | 36 | 3 | 0.0 | 0.000 | 0.105 | (1;000) | ✔ | 15/03/17 |
| Cd2Hg | ICSD | 58983 | I4/mmm (139) | ✔ | 3 | 36 | 3 | 0.0 | 0.033 | 0.617 | (1;000) | ✗ | 27/01/17 |
| Cd(NCl)2 | COD | 9016251 | Cmmm (65) | ✔ | 5 | 36 | 1 | 0.0 | 0.007 | 0.674 | (0;111) | ✗ | 27/01/17 |
| Li4HN | COD | 8100739 | I4_1/a (88) | ✔ | 12 | 36 | 1 | 2.0734 | 2.437 | 0.000 | (0;000) | ✗ | 27/01/17 |
| SrLiN | ICSD | 87414 | P4_2/mmc (131) | ✔ | 6 | 36 | 1 | 0.2644 | 0.825 | 0.000 | (0;000) | ✗ | 27/01/17 |
| YBC | ICSD | 42626 | Cmmm (65) | ✔ | 6 | 36 | 3 | 0.0 | 0.006 | 0.641 | (1;110) | ✗ | 27/01/17 |
| BeSiAs2 | ICSD | 237067 | I-42d (122) | ✗ | 8 | 36 | 3 | 0.8099 | 0.810 | 0.000 | (0;000) | ✗ | 07/10/16 |
| RbMnTe2 | ICSD | 87984 | I-4m2 (119) | ✗ | 4 | 36 | 2 | 0.0 | 0.003 | 0.593 | (1;010) | ✔ | 07/10/16 |
| TiAl2 | COD | 1528043 | Cmmm (65) | ✔ | 6 | 36 | 3 | 0.0 | 0.010 | 0.449 | (1;110) | ✗ | 05/01/17 |
| HgTe | ICSD | 56658 | Cmcm (63) | ✔ | 4 | 36 | 3 | 0.0 | 0.062 | 0.439 | (0;110) | ✗ | 27/01/17 |
| GaSb | ICSD | 190426 | P6_3mc (186) | ✗ | 4 | 36 | 3 | 0.0 | 0.008 | 0.010 | (0;000) | ✔ | 06/10/16 |
| RbMnSe2 | ICSD | 50819 | I-4m2 (119) | ✗ | 4 | 36 | 2 | 0.0 | 0.003 | 0.529 | (1;100) | ✔ | 07/10/16 |
| ScAlAg2 | COD | 1509642 | Fm-3m (225) | ✔ | 4 | 36 | 3 | 0.0 | 0.005 | 0.281 | (1;000) | ✗ | 05/01/17 |
| GaP | ICSD | 190425 | P6_3mc (186) | ✗ | 4 | 36 | 3 | 1.3812 | 1.457 | 0.000 | (0;000) | ✗ | 06/10/16 |
| GaN | ICSD | 159250 | P6_3mc (186) | ✗ | 4 | 36 | 2 | 0.0 | 0.015 | 0.236 | (1;000) | ✔ | 06/10/16 |
| NaLiS | ICSD | 61091 | P4/nmm (129) | ✔ | 6 | 36 | 1 | 3.1045 | 3.105 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Sr(FeP)2 | ICSD | 54407 | I4/mmm (139) | ✔ | 5 | 36 | 2 | 0.0 | 0.011 | 0.570 | (1;111) | ✗ | 27/01/17 |
| Zr3O | ICSD | 27023 | R-3c (167) | ✔ | 8 | 36 | 3 | 0.0 | 0.010 | 0.240 | (1;000) | ✗ | 27/01/17 |
| BeH2 | ICSD | 161367 | Ibam (72) | ✔ | 18 | 36 | 1 | 5.4829 | 5.483 | 0.000 | (0;000) | ✗ | 05/01/17 |
| SrSi2 | COD | 1527358 | I4_1/amd (141) | ✔ | 6 | 36 | 3 | 0.0 | 0.014 | 0.249 | (1;111) | ✗ | 27/01/17 |
| CaSi2 | ICSD | 248532 | I4_1/amd (141) | ✔ | 6 | 36 | 3 | 0.0 | 0.003 | 0.257 | (1;111) | ✗ | 27/01/17 |
| Ga2BiAs | ICSD | 182809 | P-4m2 (115) | ✗ | 4 | 36 | 3 | 0.0 | 0.017 | 0.170 | (0;111) | ✔ | 06/10/16 |
| KMnTe2 | ICSD | 87983 | I-4m2 (119) | ✗ | 4 | 36 | 2 | 0.0 | 0.002 | 0.598 | (1;110) | ✔ | 07/10/16 |
| FeSb2 | ICSD | 15003 | P2nn (34) | ✗ | 6 | 36 | 3 | 0.0 | 0.112 | 0.057 | (0;000) | ✔ | 06/10/16 |
| TiNiSn | ICSD | 174568 | F-43m (216) | ✗ | 3 | 36 | 3 | 0.4583 | 1.126 | 0.000 | (0;000) | ✔ | 15/02/17 |
| Se | COD | 9013138 | R-3 (148) | ✔ | 6 | 36 | 1 | 1.2105 | 1.351 | 0.000 | (0;000) | ✗ | 27/01/17 |
| CaSi2 | ICSD | 52789 | R-3m (166) | ✔ | 6 | 36 | 1 | 0.0 | 0.038 | 0.120 | (1;000) | ✗ | 27/01/17 |
| LiPN2 | ICSD | 32713 | I-42d (122) | ✗ | 8 | 36 | 3 | 4.0391 | 4.776 | 0.000 | (0;000) | ✗ | 07/10/16 |
| TiSe | COD | 9008919 | P6_3/mmc (194) | ✔ | 4 | 36 | 3 | 0.0 | 0.000 | 0.450 | (0;000) | ✗ | 27/01/17 |
| TiNiSn | ICSD | 657175 | F-43m (216) | ✗ | 3 | 36 | 3 | 0.0 | 0.029 | 0.249 | (0;000) | ✔ | 15/02/17 |
| TeO2 | ICSD | 647519 | P4_2/mnm (136) | ✔ | 6 | 36 | 3 | 0.0 | 0.890 | 0.307 | (0;000) | ✗ | 27/01/17 |
| YTlSe2 | ICSD | 652075 | R-3m (166) | ✔ | 4 | 36 | 2 | 1.1254 | 1.777 | 0.000 | (0;000) | ✗ | 27/01/17 |
| In2Pt | COD | 9009034 | Fm-3m (225) | ✔ | 3 | 36 | 3 | 0.0 | 0.022 | 0.831 | (0;000) | ✗ | 27/01/17 |
| LiMg2Tl | COD | 2310240 | Fm-3m (225) | ✔ | 4 | 36 | 3 | 0.0 | 0.382 | 0.358 | (0;000) | ✗ | 27/01/17 |
| FeAs2 | ICSD | 41724 | Pmnn (58) | ✔ | 6 | 36 | 3 | 0.2853 | 0.617 | 0.000 | (0;000) | ✗ | 06/10/16 |
| TiNiSn | COD | 1523922 | F-43m (216) | ✗ | 3 | 36 | 3 | 0.0 | 0.374 | 0.113 | (0;000) | ✔ | 15/02/17 |
| CoAs2 | ICSD | 610034 | Pmnn (58) | ✔ | 6 | 38 | 3 | 0.0 | 0.000 | 0.925 | (1;000) | ✗ | 06/10/16 |
| Ag3Sb | ICSD | 38820 | Pmm2 (25) | ✗ | 4 | 38 | 3 | 0.0 | 0.008 | 0.385 | (1;010) | ✔ | 06/10/16 |
| Zr2Cu | COD | 4310034 | C2/m (12) | ✔ | 6 | 38 | 0 | 0.0 | 0.006 | 0.668 | (0;000) | ✗ | 27/01/17 |
| MnSbPd | ICSD | 76099 | F-43m (216) | ✗ | 3 | 38 | 3 | 0.0 | 0.148 | 0.743 | ? | ✗ | 15/02/17 |
| Ca(SiNi)2 | COD | 1521052 | I4/mmm (139) | ✔ | 5 | 38 | 3 | 0.0 | 0.011 | 0.695 | (0;111) | ✗ | 27/01/17 |
| RbSb2 | ICSD | 419402 | C2/m (12) | ✔ | 6 | 38 | 1 | 0.3062 | 0.713 | 0.000 | (0;000) | ✔ | 02/02/17 |
| NbInSe2 | ICSD | 640056 | P-6m2 (187) | ✗ | 4 | 38 | 2 | 0.0 | 0.020 | 0.401 | (0;000) | ✔ | 06/10/16 |
| NbInSe2 | ICSD | 53102 | P-6m2 (187) | ✗ | 4 | 38 | 3 | 0.0 | 0.048 | 0.383 | (1;100) | ✔ | 06/10/16 |
| NbInS2 | ICSD | 74702 | P-6m2 (187) | ✗ | 4 | 38 | 2 | 0.0 | 0.014 | 0.412 | (0;000) | ✔ | 06/10/16 |
| NbInS2 | ICSD | 640054 | P-6m2 (187) | ✗ | 4 | 38 | 3 | 0.0 | 0.030 | 0.270 | (0;000) | ✔ | 06/10/16 |
| TlIO3 | ICSD | 76967 | Pm-3m (221) | ✔ | 5 | 38 | 3 | 0.0 | 0.292 | 0.119 | (1;111) | ✗ | 30/01/17 |
| TlIO3 | ICSD | 62106 | R3m (160) | ✗ | 5 | 38 | 1 | 2.5705 | 2.612 | 0.000 | (0;000) | ✗ | 06/10/16 |
| C5S3 | COD | 4109719 | Immm (71) | ✔ | 8 | 38 | 1 | 0.0 | 0.005 | 0.705 | (0;111) | ✗ | 27/01/17 |
| Fe2B | ICSD | 16809 | I-42m (121) | ✗ | 6 | 38 | 3 | 0.0 | 0.009 | 0.613 | (0;000) | ✔ | 06/10/16 |
| MnGaPt | ICSD | 108482 | F-43m (216) | ✗ | 3 | 38 | 3 | 0.0 | 0.000 | 0.968 | ? | ✗ | 15/02/17 |
| ZrNiP | ICSD | 87358 | P6_3/mmc (194) | ✔ | 6 | 38 | 3 | 0.0 | 0.000 | 0.716 | (0;000) | ✗ | 27/01/17 |
| MoN | ICSD | 76280 | P6_3/mmc (194) | ✔ | 4 | 38 | 3 | 0.0 | 0.000 | 0.939 | (0;000) | ✗ | 06/10/16 |
| Ca(HO)4 | COD | 2101033 | P6/mmm (191) | ✔ | 9 | 38 | 1 | 0.0 | 0.002 | 0.764 | (0;000) | ✗ | 27/01/17 |
| Li2Tl | ICSD | 642401 | Cmcm (63) | ✔ | 6 | 38 | 1 | 0.0 | 0.000 | 0.717 | (1;110) | ✗ | 27/01/17 |
| MnCuO2 | COD | 9011834 | C2/m (12) | ✔ | 4 | 38 | 3 | 0.0 | 0.040 | 0.274 | (0;000) | ✗ | 27/01/17 |
| Ba(MgSi)2 | ICSD | 25311 | I4/mmm (139) | ✔ | 5 | 38 | 3 | 0.0 | 0.011 | 0.286 | (0;000) | ✗ | 05/01/17 |
| ScHCl | ICSD | 40981 | R-3m (166) | ✔ | 6 | 38 | 2 | 0.0 | 0.011 | 0.232 | (0;111) | ✗ | 27/01/17 |
| Na2H2Pd | ICSD | 68071 | I4/mmm (139) | ✔ | 5 | 38 | 2 | 0.0 | 0.385 | 0.251 | (0;000) | ✗ | 27/01/17 |
| IrN2 | ICSD | 160620 | Pmnn (58) | ✔ | 6 | 38 | 3 | 0.0 | 0.000 | 0.965 | (1;011) | ✗ | 06/10/16 |
| ZrNi2Sn | ICSD | 646823 | Fm-3m (225) | ✔ | 4 | 38 | 3 | 0.0 | 0.010 | 0.226 | (1;000) | ✗ | 27/01/17 |
| Li2In | ICSD | 51961 | Cmcm (63) | ✔ | 6 | 38 | 1 | 0.0 | 0.000 | 0.804 | (1;110) | ✗ | 27/01/17 |
| PI2 | ICSD | 203216 | P-1 (2) | ✔ | 6 | 38 | 1 | 1.5597 | 1.560 | 0.000 | (0;000) | ✗ | 06/10/16 |
| HgCl | COD | 9016588 | I4/mmm (139) | ✔ | 4 | 38 | 3 | 1.4848 | 2.394 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Cu3Sb | ICSD | 628989 | Fm-3m (225) | ✔ | 4 | 38 | 3 | 0.0 | 0.000 | 0.375 | (1;000) | ✗ | 27/01/17 |
| TaInSe2 | ICSD | 640520 | P-6m2 (187) | ✗ | 4 | 38 | 3 | 0.0 | 0.006 | 0.346 | (0;000) | ✔ | 06/10/16 |
| CrCdTe2 | ICSD | 181054 | P-4m2 (115) | ✗ | 4 | 38 | 3 | 0.0 | 0.003 | 0.433 | (1;101) | ✔ | 07/10/16 |
| ZrZnCu2 | COD | 1524552 | Fm-3m (225) | ✔ | 4 | 38 | 3 | 0.0 | 0.015 | 0.206 | (0;000) | ✗ | 27/01/17 |
| NbS | ICSD | 44992 | P6_3/mmc (194) | ✔ | 4 | 38 | 3 | 0.0 | 0.000 | 0.878 | (0;000) | ✗ | 27/01/17 |
| Cu3N | ICSD | 55222 | Pm-3m (221) | ✔ | 4 | 38 | 3 | 0.0 | 0.000 | 0.661 | (0;111) | ✗ | 27/01/17 |
| Cu3N | COD | 1010167 | Pm-3m (221) | ✔ | 4 | 38 | 3 | 0.0 | 0.675 | 0.090 | (0;000) | ✗ | 27/01/17 |
| Fe2B | COD | 1010474 | I4/mcm (140) | ✔ | 6 | 38 | 3 | 0.0 | 0.000 | 0.524 | (1;001) | ✗ | 27/01/17 |
| NaRhO2 | ICSD | 66280 | R-3m (166) | ✔ | 4 | 38 | 2 | 1.4316 | 1.523 | 0.000 | (0;000) | ✗ | 27/01/17 |
| LiMgSnAu | ICSD | 16477 | F-43m (216) | ✗ | 4 | 38 | 3 | 0.0 | 0.000 | 0.293 | (1;000) | ✔ | 15/02/17 |