| ▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▴ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Zr(FeSi)2 | ICSD | 633666 | I4/mmm (139) | ✔ | 5 | 28 | 3 | 0.0 | 0.026 | 0.701 | (1;000) | ✗ | 27/01/17 |
| Fe2O3 | ICSD | 189439 | Cmcm (63) | ✔ | 10 | 68 | 3 | 0.0 | 0.008 | 0.707 | (0;110) | ✗ | 27/01/17 |
| Mn(FeO2)2 | COD | 1528316 | Fd-3m (227) | ✔ | 14 | 110 | 3 | 0.0 | 0.000 | 0.638 | (0;000) | ✗ | 27/01/17 |
| HfFe2 | ICSD | 103498 | Fd-3m (227) | ✔ | 6 | 56 | 3 | 0.0 | 0.001 | 0.395 | (0;000) | ✗ | 27/01/17 |
| PdI2 | ICSD | 23169 | Pnnm (58) | ✔ | 6 | 64 | 1 | 0.6718 | 0.969 | 0.000 | (0;000) | ✗ | 02/02/17 |
| AgBr | ICSD | 56549 | P2_1/m (11) | ✔ | 4 | 36 | 3 | 0.3803 | 1.889 | 0.000 | (0;000) | ✔ | 06/10/16 |
| Mg(FeO2)2 | COD | 1011245 | Fd-3m (227) | ✔ | 14 | 100 | 3 | 0.0 | 0.006 | 0.342 | (0;000) | ✗ | 27/01/17 |
| LaI3 | ICSD | 31596 | Cmcm (63) | ✔ | 8 | 48 | 2 | 1.1147 | 1.359 | 0.000 | (0;000) | ✗ | 06/10/16 |
| HfFe2 | ICSD | 632246 | P6_3/mmc (194) | ✔ | 12 | 112 | 3 | 0.0 | 0.005 | 0.440 | (1;000) | ✗ | 27/01/17 |
| Fe2NiO4 | ICSD | 52387 | Fd-3m (227) | ✔ | 14 | 100 | 3 | 0.0 | 0.000 | 0.790 | (0;000) | ✗ | 27/01/17 |
| Na2Fe2Se2O | ICSD | 186502 | I4/mmm (139) | ✔ | 7 | 52 | 1 | 0.0 | 0.004 | 0.459 | (0;000) | ✗ | 27/01/17 |
| SbI3 | ICSD | 26082 | R-3 (148) | ✔ | 8 | 52 | 2 | 1.7182 | 1.827 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Fe2Mo | COD | 1501464 | P6_3/mmc (194) | ✔ | 12 | 120 | 3 | 0.0 | 0.001 | 0.724 | (0;000) | ✗ | 27/01/17 |
| Fe2N | ICSD | 152811 | Pbcn (60) | ✔ | 12 | 84 | 3 | 0.0 | 0.000 | 0.668 | (0;101) | ✗ | 27/01/17 |
| YI3 | ICSD | 170773 | R-3 (148) | ✔ | 8 | 64 | 2 | 2.4263 | 2.773 | 0.000 | (0;000) | ✗ | 06/10/16 |
| NbFe2 | ICSD | 632782 | P6_3/mmc (194) | ✔ | 12 | 116 | 3 | 0.0 | 0.001 | 0.469 | (0;000) | ✗ | 27/01/17 |
| ScFe2 | COD | 1523284 | Fd-3m (227) | ✔ | 6 | 54 | 3 | 0.0 | 0.000 | 0.877 | (0;000) | ✗ | 27/01/17 |
| Zn(FeO2)2 | COD | 9006902 | Fd-3m (227) | ✔ | 14 | 104 | 3 | 0.0 | 0.001 | 0.369 | (0;000) | ✗ | 27/01/17 |
| Fe2O3 | COD | 1011267 | R-3c (167) | ✔ | 10 | 68 | 3 | 0.0 | 0.040 | 0.793 | (1;000) | ✗ | 27/01/17 |
| K2S | ICSD | 412535 | Cmcm (63) | ✔ | 6 | 48 | 1 | 2.7895 | 2.790 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Fe2O3 | ICSD | 96077 | Pbcn (60) | ✔ | 20 | 136 | 3 | 0.0 | 0.001 | 0.415 | (0;000) | ✗ | 27/01/17 |
| Fe2SiO4 | COD | 9000735 | Fd-3m (227) | ✔ | 14 | 88 | 3 | 0.0 | 0.040 | 0.215 | (0;000) | ✗ | 27/01/17 |
| PI2 | ICSD | 203216 | P-1 (2) | ✔ | 6 | 38 | 1 | 1.5597 | 1.560 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Fe2O3 | COD | 9015065 | R-3c (167) | ✔ | 10 | 68 | 3 | 0.0 | 0.011 | 0.606 | (1;000) | ✗ | 27/01/17 |
| ScFe2 | ICSD | 633428 | P6_3/mmc (194) | ✔ | 12 | 108 | 3 | 0.0 | 0.001 | 0.919 | (1;000) | ✗ | 27/01/17 |
| Sr3Fe2O5 | ICSD | 261512 | Cmmm (65) | ✔ | 10 | 76 | 3 | 0.0 | 0.002 | 0.740 | (0;110) | ✗ | 27/01/17 |
| NbI5 | ICSD | 10457 | P-1 (2) | ✔ | 12 | 96 | 1 | 0.0 | 0.048 | 0.113 | (0;111) | ✗ | 06/10/16 |
| Fe2PO5 | COD | 1008736 | C2/c (15) | ✔ | 16 | 102 | 3 | 0.0 | 0.000 | 0.683 | (0;100) | ✗ | 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 |
| Li2In | ICSD | 51961 | Cmcm (63) | ✔ | 6 | 38 | 1 | 0.0 | 0.000 | 0.804 | (1;110) | ✗ | 27/01/17 |
| Fe2TeO6 | COD | 1526767 | P4_2/mnm (136) | ✔ | 18 | 116 | 3 | 0.0 | 0.007 | 0.206 | (1;000) | ✗ | 27/01/17 |
| Fe3S4 | COD | 9000077 | R-3m (166) | ✔ | 7 | 48 | 2 | 0.0 | 0.016 | 0.515 | (0;000) | ✗ | 27/01/17 |
| Zr2GaFe3 | ICSD | 631863 | P6_3/mmc (194) | ✔ | 12 | 90 | 3 | 0.0 | 0.000 | 0.588 | (1;000) | ✗ | 27/01/17 |
| TaFe2 | ICSD | 633780 | P6_3/mmc (194) | ✔ | 12 | 116 | 3 | 0.0 | 0.001 | 0.581 | (1;000) | ✗ | 27/01/17 |
| Fe2Sn | COD | 1523460 | P6_3/mmc (194) | ✔ | 6 | 60 | 3 | 0.0 | 0.007 | 0.858 | (0;000) | ✗ | 27/01/17 |
| InS | ICSD | 15931 | Pnnm (58) | ✔ | 8 | 76 | 3 | 0.6548 | 1.429 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Fe2Si | COD | 9014528 | P-3m1 (164) | ✔ | 6 | 40 | 3 | 0.0 | 0.006 | 0.517 | (1;001) | ✗ | 27/01/17 |
| TiFe2Sn | COD | 1523643 | Fm-3m (225) | ✔ | 4 | 42 | 3 | 0.0 | 0.019 | 0.026 | (0;000) | ✗ | 27/01/17 |
| InSb | ICSD | 156995 | Cmcm (63) | ✔ | 4 | 36 | 3 | 0.0 | 0.022 | 0.498 | (0;000) | ✗ | 06/10/16 |
| AlPO4 | ICSD | 159273 | P2/m (10) | ✔ | 6 | 32 | 3 | 4.6119 | 4.623 | 0.000 | (0;000) | ✗ | 05/01/17 |
| GaFe3 | ICSD | 631740 | P6_3/mmc (194) | ✔ | 8 | 74 | 3 | 0.0 | 0.000 | 0.898 | (0;000) | ✗ | 27/01/17 |
| TiFe2 | COD | 1523306 | P6_3/mmc (194) | ✔ | 12 | 112 | 3 | 0.0 | 0.001 | 0.479 | (1;000) | ✗ | 27/01/17 |
| MoIr | ICSD | 104499 | Pmmb (51) | ✔ | 4 | 46 | 3 | 0.0 | 0.000 | 0.815 | (0;001) | ✗ | 06/10/16 |
| TaFe2 | ICSD | 633784 | P6_3/mmc (194) | ✔ | 12 | 116 | 3 | 0.0 | 0.002 | 0.422 | (0;000) | ✗ | 27/01/17 |
| ZrFe2 | COD | 1523305 | Fd-3m (227) | ✔ | 6 | 40 | 3 | 0.0 | 0.000 | 0.405 | (0;000) | ✗ | 27/01/17 |
| IrN2 | ICSD | 160620 | Pmnn (58) | ✔ | 6 | 38 | 3 | 0.0 | 0.000 | 0.965 | (1;011) | ✗ | 06/10/16 |
| YFe2 | ICSD | 634083 | Fd-3m (227) | ✔ | 6 | 54 | 3 | 0.0 | 0.000 | 0.887 | (0;000) | ✗ | 27/01/17 |
| Fe3Pt | COD | 1523353 | Pm-3m (221) | ✔ | 4 | 34 | 3 | 0.0 | 0.000 | 0.942 | (0;000) | ✗ | 27/01/17 |
| Zr2Fe3Ge | ICSD | 53483 | P6_3/mmc (194) | ✔ | 12 | 72 | 3 | 0.0 | 0.001 | 0.465 | (0;000) | ✗ | 27/01/17 |
| Fe3Ge | ICSD | 53462 | Fm-3m (225) | ✔ | 4 | 28 | 3 | 0.0 | 0.005 | 0.598 | (0;000) | ✗ | 27/01/17 |
| MnGaNi2 | ICSD | 167566 | I4/mmm (139) | ✔ | 4 | 48 | 3 | 0.0 | 0.003 | 0.606 | (0;111) | ✗ | 06/10/16 |
| SiIr | ICSD | 15693 | Pmnb (62) | ✔ | 8 | 52 | 3 | 0.0 | 0.001 | 0.343 | (0;011) | ✗ | 06/10/16 |
| Fe3Ge | COD | 1001144 | P6_3/mmc (194) | ✔ | 8 | 56 | 3 | 0.0 | 0.000 | 0.549 | (1;000) | ✗ | 27/01/17 |
| VIr | ICSD | 104590 | Cmmm (65) | ✔ | 4 | 44 | 3 | 0.0 | 0.012 | 0.614 | (0;111) | ✗ | 06/10/16 |
| Fe3Ge | ICSD | 631996 | Pm-3m (221) | ✔ | 4 | 28 | 3 | 0.0 | 0.000 | 0.855 | (0;111) | ✗ | 27/01/17 |
| Fe3Pd | COD | 1523349 | Pm-3m (221) | ✔ | 4 | 42 | 3 | 0.0 | 0.000 | 0.957 | (0;000) | ✗ | 27/01/17 |
| Fe3RhN | ICSD | 153274 | Pm-3m (221) | ✔ | 5 | 46 | 3 | 0.0 | 0.000 | 0.590 | (0;000) | ✗ | 27/01/17 |
| IrW | ICSD | 104596 | Pmmb (51) | ✔ | 4 | 46 | 3 | 0.0 | 0.000 | 0.746 | (0;001) | ✗ | 06/10/16 |
| SiO2 | ICSD | 75654 | C2/c (15) | ✔ | 12 | 64 | 3 | 5.8229 | 5.859 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Fe3O4 | COD | 9002674 | Fd-3m (227) | ✔ | 14 | 96 | 3 | 0.0 | 0.002 | 0.306 | (0;000) | ✗ | 27/01/17 |
| ZrIr | ICSD | 163453 | Cmcm (63) | ✔ | 8 | 84 | 3 | 0.0 | 0.017 | 0.492 | (1;000) | ✗ | 27/01/17 |
| Fe3O4 | COD | 9002332 | Cmcm (63) | ✔ | 14 | 96 | 3 | 0.0 | 0.002 | 0.831 | (1;000) | ✗ | 27/01/17 |
| Ga2O3 | ICSD | 27431 | R-3c (167) | ✔ | 10 | 88 | 3 | 2.8601 | 3.106 | 0.000 | (0;000) | ✗ | 27/01/17 |
| FeTe | ICSD | 169974 | P4/nmm (129) | ✔ | 4 | 28 | 2 | 0.0 | 0.008 | 0.526 | (1;001) | ✗ | 27/01/17 |
| Li4FeN2 | ICSD | 68700 | Immm (71) | ✔ | 7 | 30 | 1 | 0.0 | 0.061 | 0.130 | (0;000) | ✗ | 27/01/17 |
| Ga2FeS4 | COD | 1524268 | P-3m1 (164) | ✔ | 7 | 58 | 2 | 0.2722 | 0.428 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Y(Fe2Si)2 | ICSD | 633644 | P4_2/mnm (136) | ✔ | 14 | 102 | 3 | 0.0 | 0.000 | 0.912 | (0;000) | ✗ | 27/01/17 |
| Fe3Sn2 | ICSD | 71 | R-3m (166) | ✔ | 10 | 104 | 3 | 0.0 | 0.001 | 0.459 | (1;111) | ✗ | 27/01/17 |
| Fe3S | ICSD | 633291 | Pnma (62) | ✔ | 16 | 120 | 3 | 0.0 | 0.008 | 0.527 | (0;000) | ✗ | 27/01/17 |
| K2O2 | ICSD | 180559 | Ccme (64) | ✔ | 8 | 60 | 1 | 2.5679 | 2.644 | 0.000 | (0;000) | ✗ | 06/10/16 |
| CrBr2 | ICSD | 23903 | C2/m (12) | ✔ | 3 | 28 | 2 | 0.0 | 0.045 | 0.565 | (0;000) | ✔ | 27/01/17 |
| Zr2Fe3Si | ICSD | 53558 | P6_3/mmc (194) | ✔ | 12 | 72 | 3 | 0.0 | 0.000 | 0.424 | (1;000) | ✗ | 27/01/17 |
| K3Sb | ICSD | 641351 | Fm-3m (225) | ✔ | 4 | 32 | 1 | 0.6121 | 0.612 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Fe3Si | COD | 9015110 | Fm-3m (225) | ✔ | 4 | 28 | 3 | 0.0 | 0.000 | 0.618 | (0;000) | ✗ | 27/01/17 |
| Sc(Fe2Si)2 | ICSD | 633444 | P4_2/mnm (136) | ✔ | 14 | 102 | 3 | 0.0 | 0.000 | 0.890 | (0;110) | ✗ | 27/01/17 |
| Fe3Sn | COD | 1523367 | Pm-3m (221) | ✔ | 4 | 38 | 3 | 0.0 | 0.000 | 0.867 | (0;111) | ✗ | 27/01/17 |
| LaNi | ICSD | 641489 | Ccmm (63) | ✔ | 4 | 26 | 3 | 0.0 | 0.000 | 0.851 | (1;110) | ✗ | 06/10/16 |
| Fe3Sn | ICSD | 633746 | P6_3/mmc (194) | ✔ | 8 | 76 | 3 | 0.0 | 0.000 | 0.559 | (1;000) | ✗ | 27/01/17 |
| Zr(Fe2P)2 | ICSD | 633122 | P4_2/mnm (136) | ✔ | 14 | 92 | 3 | 0.0 | 0.001 | 0.259 | (0;000) | ✗ | 27/01/17 |
| LaPd | ICSD | 641672 | Ccmm (63) | ✔ | 4 | 26 | 3 | 0.0 | 0.000 | 0.854 | (0;110) | ✗ | 06/10/16 |
| Sc(Fe2P)2 | ICSD | 68525 | P4_2/mnm (136) | ✔ | 14 | 106 | 3 | 0.0 | 0.000 | 0.869 | (1;000) | ✗ | 27/01/17 |
| Zr(FeGe)6 | COD | 1525979 | P6/mmm (191) | ✔ | 13 | 76 | 3 | 0.0 | 0.001 | 0.951 | (0;000) | ✗ | 27/01/17 |
| Zr(GaFe)6 | ICSD | 631857 | Immm (71) | ✔ | 13 | 130 | 3 | 0.0 | 0.006 | 0.610 | (1;000) | ✗ | 27/01/17 |
| BaSb2 | ICSD | 409517 | P2_1/m (11) | ✔ | 6 | 40 | 1 | 0.0 | 0.056 | 0.102 | (0;001) | ✔ | 04/10/16 |
| AlRe | ICSD | 58146 | Pm-3m (221) | ✔ | 2 | 18 | 3 | 0.0 | 0.002 | 0.680 | (1;111) | ✗ | 05/01/17 |
| LaPt | ICSD | 641688 | Ccmm (63) | ✔ | 4 | 26 | 3 | 0.0 | 0.000 | 0.831 | (0;110) | ✗ | 06/10/16 |
| Hf(GaFe)6 | ICSD | 631771 | Immm (71) | ✔ | 13 | 138 | 3 | 0.0 | 0.005 | 0.613 | (1;000) | ✗ | 27/01/17 |
| LaRh | ICSD | 641721 | Ccmm (63) | ✔ | 4 | 40 | 3 | 0.0 | 0.011 | 0.109 | (0;000) | ✗ | 06/10/16 |
| Zr(Fe2Si)2 | ICSD | 87172 | P4_2/mnm (136) | ✔ | 14 | 88 | 3 | 0.0 | 0.001 | 0.392 | (0;000) | ✗ | 27/01/17 |
| Zr(FeGe)6 | ICSD | 632167 | P6/mmm (191) | ✔ | 13 | 76 | 3 | 0.0 | 0.003 | 0.554 | (1;001) | ✗ | 27/01/17 |
| Mg(FeGe)6 | ICSD | 41461 | P6/mmm (191) | ✔ | 13 | 82 | 3 | 0.0 | 0.001 | 0.813 | (1;001) | ✗ | 27/01/17 |
| LaS | ICSD | 77831 | Ccme (64) | ✔ | 8 | 36 | 2 | 0.0 | 0.000 | 0.635 | (1;000) | ✗ | 06/10/16 |
| Hf(FeGe)6 | COD | 1008889 | P6/mmm (191) | ✔ | 13 | 84 | 3 | 0.0 | 0.000 | 0.647 | (0;000) | ✗ | 27/01/17 |
| Ti(FeGe)6 | COD | 1525977 | P6/mmm (191) | ✔ | 13 | 84 | 3 | 0.0 | 0.001 | 0.900 | (0;000) | ✗ | 27/01/17 |
| LaSi | ICSD | 408030 | Ccmm (63) | ✔ | 8 | 28 | 3 | 0.0 | 0.019 | 0.484 | (0;000) | ✗ | 06/10/16 |
| Ti(FeGe)6 | ICSD | 92173 | P6/mmm (191) | ✔ | 13 | 84 | 3 | 0.0 | 0.000 | 0.494 | (0;001) | ✗ | 27/01/17 |
| Li3FeN2 | ICSD | 68523 | Ibam (72) | ✔ | 12 | 54 | 3 | 0.0 | 0.000 | 0.662 | (0;011) | ✗ | 27/01/17 |
| Pb | ICSD | 105159 | P6_3/mmc (194) | ✔ | 10 | 140 | 1 | 0.0 | 0.536 | 0.083 | (0;000) | ✗ | 02/02/17 |
| TaFeGe | ICSD | 632129 | Pnma (62) | ✔ | 12 | 100 | 3 | 0.0 | 0.001 | 0.387 | (1;011) | ✗ | 27/01/17 |
| FeGe2 | ICSD | 42519 | I4/mcm (140) | ✔ | 6 | 32 | 3 | 0.0 | 0.013 | 0.346 | (0;000) | ✗ | 27/01/17 |