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| ▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▴ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| CdSnAs2 | ICSD | 16737 | I-42d (122) | ✗ | 8 | 72 | 3 | 0.0 | 0.046 | 0.008 | (1;000) | ✔ | 07/10/16 |
| MgGeAs2 | ICSD | 182368 | I-42d (122) | ✗ | 8 | 48 | 3 | 1.0302 | 1.030 | 0.000 | (0;000) | ✗ | 07/10/16 |
| Zr2SN2 | COD | 4124514 | P6_3/mmc (194) | ✔ | 10 | 48 | 3 | 0.1779 | 1.455 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Na2Pd3O4 | ICSD | 6157 | Immm (71) | ✔ | 9 | 96 | 3 | 0.3622 | 0.366 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Zr2SN2 | COD | 4124522 | P-3m1 (164) | ✔ | 5 | 24 | 3 | 0.6062 | 1.069 | 0.000 | (0;000) | ✗ | 27/01/17 |
| AlPO4 | ICSD | 280773 | P2_1 (4) | ✗ | 12 | 64 | 3 | 5.6822 | 5.682 | 0.000 | (0;000) | ✗ | 06/10/16 |
| ZnGeAs2 | ICSD | 16735 | I-42d (122) | ✗ | 8 | 52 | 3 | 0.3013 | 0.301 | 0.000 | (0;000) | ✔ | 07/10/16 |
| MgSiAs2 | ICSD | 182367 | I-42d (122) | ✗ | 8 | 48 | 3 | 1.2401 | 1.240 | 0.000 | (0;000) | ✗ | 07/10/16 |
| Mo5As4 | ICSD | 43186 | I4/m (87) | ✔ | 9 | 90 | 3 | 0.0 | 0.006 | 0.602 | (1;000) | ✗ | 06/10/16 |
| AlPO4 | ICSD | 417474 | P2_1 (4) | ✗ | 12 | 64 | 3 | 5.6739 | 5.674 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Si3N4 | COD | 1001249 | P6_3/m (176) | ✔ | 14 | 64 | 3 | 3.8214 | 4.349 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Sn3N4 | ICSD | 89525 | Fd-3m (227) | ✔ | 14 | 124 | 3 | 0.5158 | 0.516 | 0.000 | (0;000) | ✗ | 27/01/17 |
| W3N4 | ICSD | 30370 | Pm-3m (221) | ✔ | 7 | 62 | 3 | 0.0 | 0.011 | 0.745 | (1;111) | ✗ | 27/01/17 |
| ZnSiAs2 | ICSD | 191070 | I-42d (122) | ✗ | 8 | 52 | 3 | 1.1183 | 1.118 | 0.000 | (0;000) | ✗ | 07/10/16 |
| P3N5 | ICSD | 56876 | C2/c (15) | ✔ | 16 | 80 | 3 | 3.7067 | 4.005 | 0.000 | (0;000) | ✗ | 27/01/17 |
| ZnSnAs2 | ICSD | 18203 | I-42d (122) | ✗ | 8 | 72 | 3 | 0.0 | 0.013 | 0.004 | (1;000) | ✔ | 07/10/16 |
| Na2Zn2O3 | ICSD | 25617 | P2_1/c (14) | ✔ | 14 | 120 | 3 | 1.1217 | 1.122 | 0.000 | (0;000) | ✗ | 27/01/17 |
| AlPO4 | ICSD | 417475 | P2_1 (4) | ✗ | 12 | 64 | 3 | 5.6317 | 5.634 | 0.000 | (0;000) | ✗ | 06/10/16 |
| CuBS2 | ICSD | 156413 | I-42d (122) | ✗ | 8 | 52 | 3 | 1.6658 | 1.666 | 0.000 | (0;000) | ✗ | 07/10/16 |
| CuBSe2 | ICSD | 613591 | I-42d (122) | ✗ | 8 | 52 | 3 | 0.4946 | 0.501 | 0.000 | (0;000) | ✔ | 07/10/16 |
| FeMoP | ICSD | 632646 | Pnma (62) | ✔ | 12 | 108 | 3 | 0.0 | 0.000 | 0.423 | (0;011) | ✗ | 27/01/17 |
| Fe3C | ICSD | 167667 | Pnma (62) | ✔ | 16 | 112 | 3 | 0.0 | 0.003 | 0.486 | (0;000) | ✗ | 27/01/17 |
| AlBi | ICSD | 184567 | F-43m (216) | ✗ | 2 | 8 | 3 | 0.0 | 0.000 | 0.091 | (1;000) | ✔ | 06/10/16 |
| BaAu | ICSD | 419559 | Pmnb (62) | ✔ | 8 | 84 | 3 | 0.0 | 0.005 | 0.453 | (1;011) | ✗ | 06/10/16 |
| AlPO4 | ICSD | 97546 | C222_1 (20) | ✗ | 12 | 64 | 3 | 5.5105 | 5.511 | 0.000 | (0;000) | ✗ | 06/10/16 |
| LiBO2 | ICSD | 34256 | I-42d (122) | ✗ | 8 | 36 | 3 | 7.3954 | 7.536 | 0.000 | (0;000) | ✗ | 07/10/16 |
| BaGe3Pd | ICSD | 174261 | I4mm (107) | ✗ | 5 | 32 | 3 | 0.0 | 0.018 | 0.403 | (1;111) | ✔ | 07/10/16 |
| AlPO4 | ICSD | 98378 | C222_1 (20) | ✗ | 12 | 64 | 3 | 5.7685 | 5.769 | 0.000 | (0;000) | ✗ | 06/10/16 |
| BaGe3Pt | ICSD | 174262 | I4mm (107) | ✗ | 5 | 32 | 3 | 0.0 | 0.014 | 0.403 | (1;011) | ✔ | 07/10/16 |
| CuAu | COD | 1510113 | P4/mmm (123) | ✔ | 2 | 22 | 3 | 0.0 | 0.034 | 0.659 | (0;001) | ✗ | 05/01/17 |
| IrF4 | ICSD | 23483 | F2dd (43) | ✗ | 10 | 74 | 3 | 0.0 | 0.000 | 0.301 | (1;000) | ✔ | 06/10/16 |
| Na | ICSD | 189460 | Pnma (62) | ✔ | 8 | 72 | 3 | 0.0 | 0.273 | 0.143 | (0;000) | ✗ | 27/01/17 |
| AlPO4 | ICSD | 98379 | C222_1 (20) | ✗ | 12 | 64 | 3 | 5.7722 | 5.772 | 0.000 | (0;000) | ✗ | 06/10/16 |
| NaNbO3 | COD | 1011064 | Pm-3m (221) | ✔ | 5 | 40 | 3 | 1.7183 | 2.402 | 0.000 | (0;000) | ✗ | 27/01/17 |
| NaNbO3 | COD | 2002944 | P4/mbm (127) | ✔ | 10 | 80 | 3 | 1.6578 | 1.782 | 0.000 | (0;000) | ✗ | 27/01/17 |
| BaSi3Pd | ICSD | 174266 | I4mm (107) | ✗ | 5 | 32 | 3 | 0.0 | 0.017 | 0.443 | (0;001) | ✔ | 07/10/16 |
| BaSn3Pd | ICSD | 58673 | I4mm (107) | ✗ | 5 | 62 | 3 | 0.0 | 0.011 | 0.382 | (0;110) | ✔ | 07/10/16 |
| AlPO4 | ICSD | 98380 | C222_1 (20) | ✗ | 12 | 64 | 3 | 5.7731 | 5.773 | 0.000 | (0;000) | ✗ | 06/10/16 |
| BaSi3Pt | ICSD | 174267 | I4mm (107) | ✗ | 5 | 32 | 3 | 0.0 | 0.002 | 0.442 | (0;001) | ✔ | 07/10/16 |
| BaSn3Pt | ICSD | 58677 | I4mm (107) | ✗ | 5 | 62 | 3 | 0.0 | 0.050 | 0.352 | (0;111) | ✔ | 07/10/16 |
| Fe3C | ICSD | 29341 | Pnma (62) | ✔ | 16 | 112 | 3 | 0.0 | 0.005 | 0.194 | (1;000) | ✗ | 27/01/17 |
| PdF4 | ICSD | 1555 | F2dd (43) | ✗ | 10 | 76 | 3 | 0.6264 | 0.669 | 0.000 | (0;000) | ✗ | 06/10/16 |
| AlPO4 | ICSD | 98381 | C222_1 (20) | ✗ | 12 | 64 | 3 | 5.7718 | 5.772 | 0.000 | (0;000) | ✗ | 06/10/16 |
| BeSiN2 | ICSD | 44112 | I-42d (122) | ✗ | 8 | 36 | 3 | 1.4111 | 1.932 | 0.000 | (0;000) | ✗ | 07/10/16 |
| BeSiP2 | ICSD | 237066 | I-42d (122) | ✗ | 8 | 36 | 3 | 1.1465 | 1.147 | 0.000 | (0;000) | ✗ | 07/10/16 |
| CdAu | ICSD | 151398 | Pmmb (51) | ✔ | 4 | 46 | 3 | 0.0 | 0.000 | 0.867 | (1;000) | ✗ | 06/10/16 |
| NaTaO3 | ICSD | 28617 | Pm-3m (221) | ✔ | 5 | 40 | 3 | 2.2699 | 2.960 | 0.000 | (0;000) | ✗ | 27/01/17 |
| NaTaO3 | COD | 2002945 | P4/mbm (127) | ✔ | 10 | 80 | 3 | 2.2609 | 2.385 | 0.000 | (0;000) | ✗ | 27/01/17 |
| NaPd3O4 | ICSD | 245608 | Pm-3n (223) | ✔ | 16 | 174 | 3 | 0.0 | 0.000 | 0.909 | (0;000) | ✗ | 27/01/17 |
| NaPt3O4 | ICSD | 32546 | Pm-3n (223) | ✔ | 16 | 126 | 3 | 0.0 | 0.000 | 0.761 | (1;000) | ✗ | 27/01/17 |
| BeSiSb2 | ICSD | 237068 | I-42d (122) | ✗ | 8 | 36 | 3 | 0.0 | 0.476 | 0.018 | (0;000) | ✔ | 07/10/16 |
| AlPO4 | ICSD | 98382 | C222_1 (20) | ✗ | 12 | 64 | 3 | 5.7756 | 5.776 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Fe3C | COD | 1010931 | Pnma (62) | ✔ | 16 | 112 | 3 | 0.0 | 0.001 | 0.476 | (1;000) | ✗ | 27/01/17 |
| GaAu | ICSD | 58457 | Pmnb (62) | ✔ | 8 | 96 | 3 | 0.0 | 0.094 | 0.370 | (1;000) | ✗ | 06/10/16 |
| BeCN2 | ICSD | 181041 | I-42d (122) | ✗ | 8 | 36 | 3 | 3.8848 | 3.885 | 0.000 | (0;000) | ✗ | 07/10/16 |
| AlPO4 | ICSD | 98383 | C222_1 (20) | ✗ | 12 | 64 | 3 | 5.7651 | 5.765 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Fe3C | COD | 9016182 | Pnma (62) | ✔ | 16 | 112 | 3 | 0.0 | 0.011 | 0.285 | (1;000) | ✗ | 27/01/17 |
| NaPt2 | COD | 2020042 | Fd-3m (227) | ✔ | 6 | 58 | 3 | 0.0 | 0.000 | 0.684 | (0;000) | ✗ | 27/01/17 |
| AlPO4 | ICSD | 98384 | C222_1 (20) | ✗ | 12 | 64 | 3 | 5.7822 | 5.782 | 0.000 | (0;000) | ✗ | 06/10/16 |
| MgCN2 | ICSD | 44110 | I-42d (122) | ✗ | 8 | 48 | 3 | 3.6613 | 3.869 | 0.000 | (0;000) | ✗ | 07/10/16 |
| LiFePO4 | ICSD | 97766 | Cmcm (63) | ✔ | 14 | 80 | 3 | 0.1926 | 0.307 | 0.000 | (0;000) | ✗ | 27/01/17 |
| SnTe | ICSD | 52489 | Fm-3m (225) | ✔ | 2 | 20 | 3 | 0.1897 | 0.223 | 0.000 | (0;000) | ✗ | 06/10/16 |
| ZrCdCu2 | ICSD | 58961 | Fm-3m (225) | ✔ | 4 | 38 | 3 | 0.0 | 0.032 | 0.213 | (0;000) | ✗ | 27/01/17 |
| Fe2C | ICSD | 87128 | Pnnm (58) | ✔ | 6 | 40 | 3 | 0.0 | 0.005 | 0.565 | (0;110) | ✗ | 27/01/17 |
| LaAu | ICSD | 612099 | Ccmm (63) | ✔ | 4 | 28 | 3 | 0.0 | 0.013 | 0.464 | (1;000) | ✗ | 06/10/16 |
| Y2Fe2Si2C | ICSD | 617825 | C2/m (12) | ✔ | 7 | 50 | 3 | 0.0 | 0.038 | 0.222 | (1;000) | ✗ | 27/01/17 |
| Zr2Cd | ICSD | 620613 | I4/mmm (139) | ✔ | 3 | 20 | 3 | 0.0 | 0.011 | 0.205 | (0;111) | ✗ | 27/01/17 |
| ScSi3Ni | ICSD | 646478 | Cm2m (38) | ✗ | 10 | 66 | 3 | 0.0 | 0.003 | 0.782 | ? | ✗ | 06/10/16 |
| NaTl | COD | 1522845 | Fd-3m (227) | ✔ | 4 | 44 | 3 | 0.0 | 0.228 | 0.278 | (0;000) | ✗ | 27/01/17 |
| Nb2O5 | COD | 1528678 | C2/c (15) | ✔ | 14 | 112 | 3 | 2.7685 | 2.894 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Nb2PdS6 | ICSD | 600718 | C2/m (12) | ✔ | 9 | 80 | 3 | 0.0 | 0.031 | 0.279 | (1;000) | ✗ | 27/01/17 |
| Nb2PdSe6 | ICSD | 600719 | C2/m (12) | ✔ | 9 | 80 | 3 | 0.0 | 0.024 | 0.334 | (1;001) | ✗ | 27/01/17 |
| Ti(NbSe2)2 | ICSD | 645395 | C2/m (12) | ✔ | 7 | 62 | 3 | 0.0 | 0.024 | 0.723 | (0;000) | ✗ | 27/01/17 |
| Nb3Os | COD | 1523064 | Pm-3n (223) | ✔ | 8 | 110 | 3 | 0.0 | 0.000 | 0.779 | (0;000) | ✗ | 27/01/17 |
| Nb3Pb | COD | 1523834 | Pm-3n (223) | ✔ | 8 | 106 | 3 | 0.0 | 0.000 | 0.825 | (1;000) | ✗ | 27/01/17 |
| Nb3Pt | COD | 1523069 | Pm-3n (223) | ✔ | 8 | 98 | 3 | 0.0 | 0.000 | 0.496 | (0;000) | ✗ | 27/01/17 |
| Nb3Rh | ICSD | 105216 | Pm-3n (223) | ✔ | 8 | 112 | 3 | 0.0 | 0.001 | 0.614 | (0;000) | ✗ | 27/01/17 |
| Nb3Sb | ICSD | 645349 | Pm-3n (223) | ✔ | 8 | 88 | 3 | 0.0 | 0.003 | 0.278 | (1;000) | ✗ | 27/01/17 |
| Nb3Si | ICSD | 76584 | Pm-3n (223) | ✔ | 8 | 86 | 3 | 0.0 | 0.000 | 0.833 | (1;000) | ✗ | 27/01/17 |
| Nb3Sn | COD | 1523423 | Pm-3n (223) | ✔ | 8 | 106 | 3 | 0.0 | 0.000 | 0.893 | (1;000) | ✗ | 27/01/17 |
| Nb3Te | COD | 1523365 | Pm-3n (223) | ✔ | 8 | 90 | 3 | 0.0 | 0.000 | 0.739 | (0;000) | ✗ | 27/01/17 |
| Nb3Tl | COD | 1521727 | Pm-3n (223) | ✔ | 8 | 104 | 3 | 0.0 | 0.000 | 0.832 | (1;111) | ✗ | 27/01/17 |
| Nb4NiP | ICSD | 645089 | P4/mcc (124) | ✔ | 12 | 134 | 3 | 0.0 | 0.000 | 0.664 | (1;000) | ✗ | 27/01/17 |
| Nb4SiNi | ICSD | 76559 | P4/mcc (124) | ✔ | 12 | 132 | 3 | 0.0 | 0.004 | 0.349 | (1;110) | ✗ | 27/01/17 |
| NbNi3 | COD | 1522733 | Pmmn (59) | ✔ | 8 | 86 | 3 | 0.0 | 0.000 | 0.830 | (0;000) | ✗ | 27/01/17 |
| NbNiP | ICSD | 645088 | Pnma (62) | ✔ | 12 | 112 | 3 | 0.0 | 0.013 | 0.279 | (0;000) | ✗ | 27/01/17 |
| NbSiNi | ICSD | 645107 | Pnma (62) | ✔ | 12 | 108 | 3 | 0.0 | 0.001 | 0.382 | (1;011) | ✗ | 27/01/17 |
| NbO2 | ICSD | 56018 | P4_2/mnm (136) | ✔ | 6 | 50 | 3 | 0.0 | 0.000 | 0.924 | (0;000) | ✗ | 27/01/17 |
| YNbO4 | COD | 9011436 | C2/c (15) | ✔ | 12 | 96 | 3 | 3.6266 | 3.747 | 0.000 | (0;000) | ✗ | 27/01/17 |
| NbPO5 | COD | 1517726 | P4/nmm (129) | ✔ | 14 | 96 | 3 | 3.3846 | 3.666 | 0.000 | (0;000) | ✗ | 27/01/17 |
| NbPbS2 | ICSD | 74698 | P6_3/mmc (194) | ✔ | 8 | 78 | 3 | 0.0 | 0.000 | 0.979 | (1;000) | ✗ | 27/01/17 |
| NbSiPd | ICSD | 416177 | Pnma (62) | ✔ | 12 | 140 | 3 | 0.0 | 0.001 | 0.448 | (1;011) | ✗ | 27/01/17 |
| NbP | COD | 9008973 | I4_1/amd (141) | ✔ | 4 | 36 | 3 | 0.0 | 0.011 | 0.453 | (1;111) | ✗ | 27/01/17 |
| NbPRh | ICSD | 645173 | Pnma (62) | ✔ | 12 | 140 | 3 | 0.0 | 0.001 | 0.444 | (1;011) | ✗ | 27/01/17 |
| NbPRu | ICSD | 645175 | Pnma (62) | ✔ | 12 | 136 | 3 | 0.0 | 0.041 | 0.110 | (0;000) | ✗ | 27/01/17 |
| NbPSe | COD | 4343766 | Immm (71) | ✔ | 6 | 48 | 3 | 0.0 | 0.020 | 0.494 | (0;000) | ✗ | 27/01/17 |
| NbPS | COD | 4343765 | Immm (71) | ✔ | 6 | 48 | 3 | 0.0 | 0.060 | 0.466 | (0;000) | ✗ | 27/01/17 |
| NbSiPt | COD | 1522281 | Pnma (62) | ✔ | 12 | 108 | 3 | 0.0 | 0.001 | 0.465 | (1;011) | ✗ | 27/01/17 |
| NbVP | ICSD | 645178 | Pnma (62) | ✔ | 12 | 124 | 3 | 0.0 | 0.000 | 0.707 | (0;011) | ✗ | 27/01/17 |
| NbRh3 | COD | 1523501 | Pm-3m (221) | ✔ | 4 | 64 | 3 | 0.0 | 0.014 | 0.642 | (0;111) | ✗ | 27/01/17 |