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| ▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▴ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| AgCNO | ICSD | 23832 | Cmcm (63) | ✔ | 8 | 52 | 3 | 2.1874 | 2.631 | 0.000 | (0;000) | ✗ | 27/01/17 |
| YNiGe2 | ICSD | 637438 | Cmcm (63) | ✔ | 8 | 58 | 3 | 0.0 | 0.000 | 0.874 | (1;110) | ✗ | 27/01/17 |
| SrNiGe2 | ICSD | 240343 | Cmcm (63) | ✔ | 8 | 56 | 3 | 0.0 | 0.002 | 0.634 | (0;110) | ✗ | 27/01/17 |
| AgCNO | ICSD | 260378 | Pmmn (59) | ✔ | 8 | 52 | 3 | 1.449 | 1.655 | 0.000 | (0;000) | ✗ | 27/01/17 |
| ZrRh | ICSD | 163454 | Cmcm (63) | ✔ | 8 | 84 | 3 | 0.0 | 0.013 | 0.482 | (1;000) | ✗ | 27/01/17 |
| SbRu | ICSD | 990 | Pmnb (62) | ✔ | 8 | 84 | 3 | 0.0 | 0.001 | 0.549 | (0;011) | ✗ | 06/10/16 |
| NaSbS2 | COD | 1530128 | P-1 (2) | ✔ | 8 | 52 | 1 | 0.898 | 0.898 | 0.000 | (0;000) | ✗ | 27/01/17 |
| BaAg | ICSD | 260623 | Pmnb (62) | ✔ | 8 | 84 | 3 | 0.0 | 0.001 | 0.353 | (1;011) | ✗ | 06/10/16 |
| CaHg3 | ICSD | 619356 | P6_3/mmc (194) | ✔ | 8 | 92 | 3 | 0.0 | 0.004 | 0.603 | (0;000) | ✗ | 27/01/17 |
| Mg3Ge | COD | 1524090 | P-3 (147) | ✔ | 8 | 68 | 1 | 0.0 | 0.000 | 0.605 | (0;000) | ✗ | 27/01/17 |
| VGe3 | ICSD | 638098 | Pm-3n (223) | ✔ | 8 | 50 | 3 | 0.0 | 0.000 | 0.934 | (0;000) | ✗ | 27/01/17 |
| CaIn2Ni | ICSD | 619378 | Cmcm (63) | ✔ | 8 | 92 | 3 | 0.0 | 0.016 | 0.719 | (1;110) | ✗ | 27/01/17 |
| SnS | ICSD | 106028 | Pmcn (62) | ✔ | 8 | 80 | 2 | 0.7294 | 0.811 | 0.000 | (0;000) | ✗ | 06/10/16 |
| CaIn2Pd | ICSD | 408881 | Cmcm (63) | ✔ | 8 | 108 | 3 | 0.0 | 0.020 | 0.665 | (0;110) | ✗ | 27/01/17 |
| CaIn2Pt | ICSD | 408880 | Cmcm (63) | ✔ | 8 | 92 | 3 | 0.0 | 0.019 | 0.734 | (0;000) | ✗ | 27/01/17 |
| CaSn2Ir | ICSD | 410773 | Cmcm (63) | ✔ | 8 | 110 | 3 | 0.0 | 0.000 | 0.845 | (0;110) | ✗ | 27/01/17 |
| SnS | ICSD | 156130 | Pmnb (62) | ✔ | 8 | 80 | 3 | 0.531 | 0.656 | 0.000 | (0;000) | ✗ | 06/10/16 |
| AlCr2C | ICSD | 42918 | P6_3/mmc (194) | ✔ | 8 | 70 | 3 | 0.0 | 0.000 | 0.937 | (1;000) | ✗ | 27/01/17 |
| RuF3 | COD | 2310598 | R-3c (167) | ✔ | 8 | 74 | 3 | 0.0 | 0.000 | 0.240 | (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 |
| Nb3Te | COD | 1523365 | Pm-3n (223) | ✔ | 8 | 90 | 3 | 0.0 | 0.000 | 0.739 | (0;000) | ✗ | 27/01/17 |
| Nb2AlC | ICSD | 606236 | P6_3/mmc (194) | ✔ | 8 | 66 | 3 | 0.0 | 0.000 | 0.888 | (1;000) | ✗ | 27/01/17 |
| VS | ICSD | 24564 | Pmcn (62) | ✔ | 8 | 76 | 3 | 0.0 | 0.001 | 0.657 | (0;011) | ✗ | 06/10/16 |
| Ta2AlC | ICSD | 606258 | P6_3/mmc (194) | ✔ | 8 | 66 | 3 | 0.0 | 0.000 | 0.900 | (1;000) | ✗ | 27/01/17 |
| AlV2C | ICSD | 606283 | P6_3/mmc (194) | ✔ | 8 | 66 | 3 | 0.0 | 0.000 | 0.902 | (1;000) | ✗ | 27/01/17 |
| Nb3Os | COD | 1523064 | Pm-3n (223) | ✔ | 8 | 110 | 3 | 0.0 | 0.000 | 0.779 | (0;000) | ✗ | 27/01/17 |
| RhF3 | COD | 2310599 | R-3c (167) | ✔ | 8 | 76 | 3 | 0.8988 | 1.057 | 0.000 | (0;000) | ✗ | 27/01/17 |
| SrS3 | ICSD | 23638 | Cc2e (41) | ✗ | 8 | 56 | 1 | 1.0789 | 1.079 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Nb3Sn | COD | 1523423 | Pm-3n (223) | ✔ | 8 | 106 | 3 | 0.0 | 0.000 | 0.893 | (1;000) | ✗ | 27/01/17 |
| Nb3Rh | ICSD | 105216 | Pm-3n (223) | ✔ | 8 | 112 | 3 | 0.0 | 0.001 | 0.614 | (0;000) | ✗ | 27/01/17 |
| TiS3 | ICSD | 42072 | P2_1/m (11) | ✔ | 8 | 60 | 2 | 0.0 | 0.119 | 0.107 | (0;000) | ✔ | 06/10/16 |
| Nb3Pt | COD | 1523069 | Pm-3n (223) | ✔ | 8 | 98 | 3 | 0.0 | 0.000 | 0.496 | (0;000) | ✗ | 27/01/17 |
| Ba2NaO | ICSD | 411905 | Cmme (67) | ✔ | 8 | 70 | 1 | 0.0 | 0.000 | 0.537 | (0;001) | ✗ | 02/02/17 |
| Nb3Pb | COD | 1523834 | Pm-3n (223) | ✔ | 8 | 106 | 3 | 0.0 | 0.000 | 0.825 | (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 |
| Nb3Sb | ICSD | 645349 | Pm-3n (223) | ✔ | 8 | 88 | 3 | 0.0 | 0.003 | 0.278 | (1;000) | ✗ | 27/01/17 |
| Na3Li3N2 | ICSD | 92312 | Pm (6) | ✗ | 8 | 46 | 2 | 0.0971 | 0.370 | 0.000 | (0;000) | ✔ | 06/10/16 |
| TaPbS2 | ICSD | 648482 | P6_3/mmc (194) | ✔ | 8 | 78 | 3 | 0.0 | 0.000 | 0.917 | (1;000) | ✗ | 27/01/17 |
| GaCl3 | ICSD | 413455 | C2/m (12) | ✔ | 8 | 68 | 1 | 4.2652 | 4.266 | 0.000 | (0;000) | ✗ | 02/02/17 |
| NaLi5N2 | ICSD | 92314 | Pm (6) | ✗ | 8 | 34 | 1 | 0.0 | 0.133 | 0.003 | (0;000) | ✔ | 06/10/16 |
| CaSiNi2 | ICSD | 412411 | P6_3/mmc (194) | ✔ | 8 | 68 | 3 | 0.0 | 0.006 | 0.599 | (1;000) | ✗ | 27/01/17 |
| ZrS3 | ICSD | 42073 | P2_1/m (11) | ✔ | 8 | 44 | 2 | 0.9911 | 1.042 | 0.000 | (0;000) | ✗ | 27/01/17 |
| NbNi3 | COD | 1522733 | Pmmn (59) | ✔ | 8 | 86 | 3 | 0.0 | 0.000 | 0.830 | (0;000) | ✗ | 27/01/17 |
| MnWN2 | ICSD | 80029 | P6_3mc (186) | ✗ | 8 | 78 | 3 | 0.0 | 0.000 | 0.864 | ? | ✗ | 06/10/16 |
| IrCl3 | ICSD | 23171 | C2/m (12) | ✔ | 8 | 76 | 2 | 1.6895 | 1.690 | 0.000 | (0;000) | ✗ | 27/01/17 |
| MoC | ICSD | 618298 | P6_3/mmc (194) | ✔ | 8 | 72 | 3 | 0.0 | 0.002 | 0.503 | (1;000) | ✗ | 27/01/17 |
| SnSe | ICSD | 108293 | Pmmn (59) | ✔ | 8 | 80 | 3 | 0.0 | 0.023 | 0.636 | (0;000) | ✗ | 27/01/17 |
| NiCN2 | COD | 4307549 | P6_3/mmc (194) | ✔ | 8 | 48 | 3 | 0.0 | 0.035 | 0.177 | (0;000) | ✗ | 27/01/17 |
| SnSe | ICSD | 16997 | Pmcn (62) | ✔ | 8 | 80 | 2 | 0.4969 | 0.652 | 0.000 | (0;000) | ✗ | 06/10/16 |
| VF3 | COD | 1000468 | R-3c (167) | ✔ | 8 | 68 | 3 | 0.0 | 0.014 | 0.628 | (0;000) | ✗ | 27/01/17 |
| Nb2PC | ICSD | 43009 | P6_3/mmc (194) | ✔ | 8 | 70 | 3 | 0.0 | 0.000 | 0.780 | (1;000) | ✗ | 27/01/17 |
| SnSe | ICSD | 186650 | Pmnb (62) | ✔ | 8 | 80 | 2 | 0.4992 | 0.652 | 0.000 | (0;000) | ✗ | 06/10/16 |
| RuCl3 | ICSD | 414041 | Cmcm (63) | ✔ | 8 | 74 | 1 | 0.0 | 0.000 | 0.794 | (0;110) | ✔ | 02/02/17 |
| NbPbS2 | ICSD | 74698 | P6_3/mmc (194) | ✔ | 8 | 78 | 3 | 0.0 | 0.000 | 0.979 | (1;000) | ✗ | 27/01/17 |
| ZrSe3 | ICSD | 25621 | P2_1/m (11) | ✔ | 8 | 60 | 2 | 0.3234 | 0.610 | 0.000 | (0;000) | ✔ | 06/10/16 |
| CaSn2Pd | ICSD | 410774 | Cmcm (63) | ✔ | 8 | 112 | 3 | 0.0 | 0.021 | 0.449 | (0;110) | ✗ | 27/01/17 |
| NaS | ICSD | 73173 | P6_3/mmc (194) | ✔ | 8 | 60 | 1 | 1.2269 | 1.227 | 0.000 | (0;000) | ✗ | 27/01/17 |
| CaSn2Rh | ICSD | 410775 | Cmcm (63) | ✔ | 8 | 110 | 3 | 0.0 | 0.000 | 0.887 | (0;000) | ✗ | 27/01/17 |
| TiSe | ICSD | 652036 | Pnma (62) | ✔ | 8 | 72 | 3 | 0.0 | 0.009 | 0.197 | (0;000) | ✗ | 27/01/17 |
| CoGe | ICSD | 184254 | C2/m (12) | ✔ | 8 | 52 | 3 | 0.0 | 0.012 | 0.761 | (0;000) | ✔ | 06/10/16 |
| Nb2AsC | ICSD | 43011 | P6_3/mmc (194) | ✔ | 8 | 70 | 3 | 0.0 | 0.000 | 0.779 | (0;001) | ✗ | 27/01/17 |
| NbSnS2 | COD | 1524323 | P6_3/mmc (194) | ✔ | 8 | 78 | 3 | 0.0 | 0.000 | 0.991 | (1;000) | ✗ | 27/01/17 |
| SrSi | ICSD | 160107 | Pmnb (62) | ✔ | 8 | 56 | 1 | 0.0 | 0.008 | 0.102 | (1;000) | ✗ | 06/10/16 |
| V2AsC | ICSD | 43874 | P6_3/mmc (194) | ✔ | 8 | 70 | 3 | 0.0 | 0.000 | 0.646 | (1;000) | ✗ | 27/01/17 |
| AuCClO | ICSD | 33526 | Cmcm (63) | ✔ | 8 | 56 | 2 | 2.4939 | 2.899 | 0.000 | (0;000) | ✗ | 27/01/17 |
| PbS | ICSD | 648451 | Pnma (62) | ✔ | 8 | 80 | 3 | 1.2827 | 1.314 | 0.000 | (0;000) | ✗ | 27/01/17 |
| NiGe | COD | 9008935 | Pnma (62) | ✔ | 8 | 56 | 3 | 0.0 | 0.050 | 0.367 | (0;000) | ✗ | 27/01/17 |
| TiSi | ICSD | 168416 | Pnma (62) | ✔ | 8 | 64 | 3 | 0.0 | 0.019 | 0.091 | (1;000) | ✗ | 27/01/17 |
| AgO | ICSD | 202543 | P2_1/c (14) | ✔ | 8 | 68 | 3 | 0.1696 | 0.666 | 0.000 | (0;000) | ✔ | 06/10/16 |
| Ba3N | ICSD | 77730 | P6_3/mcm (193) | ✔ | 8 | 70 | 1 | 0.0 | 0.000 | 0.810 | (0;000) | ✗ | 02/02/17 |
| YNiBC | ICSD | 85283 | P4/nmm (129) | ✔ | 8 | 56 | 3 | 0.0 | 0.017 | 0.299 | (1;001) | ✗ | 27/01/17 |
| ZrSi | ICSD | 16771 | Pmnb (62) | ✔ | 8 | 64 | 3 | 0.0 | 0.016 | 0.194 | (1;000) | ✗ | 06/10/16 |
| Ti2CdC | ICSD | 42924 | P6_3/mmc (194) | ✔ | 8 | 80 | 3 | 0.0 | 0.004 | 0.591 | (0;000) | ✗ | 27/01/17 |
| GeIr | COD | 9008933 | Pnma (62) | ✔ | 8 | 84 | 3 | 0.0 | 0.000 | 0.573 | (0;011) | ✗ | 27/01/17 |
| LiIrF6 | COD | 1531409 | R-3 (148) | ✔ | 8 | 62 | 1 | 0.415 | 0.552 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Na | ICSD | 189460 | Pnma (62) | ✔ | 8 | 72 | 3 | 0.0 | 0.273 | 0.143 | (0;000) | ✗ | 27/01/17 |
| Zr2NiP | ICSD | 84826 | P2_1/m (11) | ✔ | 8 | 46 | 3 | 0.0 | 0.000 | 0.865 | (0;010) | ✗ | 27/01/17 |
| Ni3Sb | ICSD | 646432 | Pmmn (59) | ✔ | 8 | 70 | 3 | 0.0 | 0.000 | 0.898 | (0;010) | ✗ | 27/01/17 |
| Ni3Sn | COD | 1522737 | P6_3/mmc (194) | ✔ | 8 | 88 | 3 | 0.0 | 0.000 | 0.770 | (1;000) | ✗ | 27/01/17 |
| K | ICSD | 165996 | Pnma (62) | ✔ | 8 | 72 | 3 | 0.0 | 0.147 | 0.288 | (0;000) | ✗ | 27/01/17 |
| ZrNi3 | COD | 1523228 | P6_3/mmc (194) | ✔ | 8 | 68 | 3 | 0.0 | 0.001 | 0.335 | (0;000) | ✗ | 27/01/17 |
| TaNi3 | COD | 1522734 | Pmmn (59) | ✔ | 8 | 86 | 3 | 0.0 | 0.000 | 0.815 | (0;000) | ✗ | 27/01/17 |
| V3Pb | COD | 1523836 | Pm-3n (223) | ✔ | 8 | 106 | 3 | 0.0 | 0.000 | 0.887 | (1;000) | ✗ | 27/01/17 |
| SiNi | ICSD | 30626 | Pnma (62) | ✔ | 8 | 56 | 3 | 0.0 | 0.014 | 0.355 | (0;000) | ✗ | 27/01/17 |
| SrNiO2 | COD | 2002309 | Cmcm (63) | ✔ | 8 | 64 | 1 | 0.0 | 0.026 | 0.485 | (0;000) | ✗ | 27/01/17 |
| NbN | ICSD | 644555 | P6_3/mmc (194) | ✔ | 8 | 72 | 3 | 0.0 | 0.006 | 0.504 | (1;000) | ✗ | 27/01/17 |
| SN | ICSD | 37353 | P2_1/c (14) | ✔ | 8 | 44 | 1 | 2.8674 | 3.081 | 0.000 | (0;000) | ✗ | 27/01/17 |
| N2 | COD | 9008571 | Pa3 (205) | ✔ | 8 | 40 | 1 | 7.8876 | 7.909 | 0.000 | (0;000) | ✗ | 27/01/17 |
| SrN | ICSD | 411555 | C2/m (12) | ✔ | 8 | 60 | 1 | 0.0 | 0.005 | 0.309 | (0;000) | ✗ | 27/01/17 |
| PdPbO2 | COD | 2002191 | Imma (74) | ✔ | 8 | 88 | 3 | 0.0 | 0.441 | 0.182 | (0;000) | ✗ | 27/01/17 |
| SrZn | ICSD | 54980 | Pmnb (62) | ✔ | 8 | 88 | 1 | 0.0 | 0.008 | 0.518 | (1;000) | ✗ | 06/10/16 |
| ReO3 | ICSD | 77680 | P4/mbm (127) | ✔ | 8 | 66 | 3 | 0.0 | 0.000 | 0.791 | (0;110) | ✗ | 27/01/17 |
| ZrTe | ICSD | 280620 | Pmnb (62) | ✔ | 8 | 72 | 3 | 0.0 | 0.014 | 0.144 | (0;000) | ✗ | 06/10/16 |
| ZrNiP2 | ICSD | 646193 | P4/nmm (129) | ✔ | 8 | 48 | 2 | 0.0 | 0.001 | 0.336 | (1;000) | ✗ | 27/01/17 |
| CdSnF6 | ICSD | 25017 | R-3 (148) | ✔ | 8 | 68 | 3 | 2.997 | 3.043 | 0.000 | (0;000) | ✗ | 27/01/17 |
| SiPd | ICSD | 41681 | I4/mcm (140) | ✔ | 8 | 88 | 3 | 0.0 | 0.021 | 0.300 | (1;000) | ✗ | 27/01/17 |
| ZrTi2O | COD | 1525860 | Cmmm (65) | ✔ | 8 | 68 | 3 | 0.0 | 0.003 | 0.640 | (1;110) | ✗ | 27/01/17 |
| Ti3O | ICSD | 23575 | P-31m (162) | ✔ | 8 | 84 | 3 | 0.0 | 0.003 | 0.542 | (0;001) | ✗ | 27/01/17 |
| Mn3Ge | ICSD | 603343 | P6_3/mmc (194) | ✔ | 8 | 98 | 3 | 0.0 | 0.000 | 0.724 | (1;000) | ✗ | 27/01/17 |
| SiPt | COD | 9008940 | Pnma (62) | ✔ | 8 | 56 | 3 | 0.0 | 0.114 | 0.301 | (0;000) | ✗ | 27/01/17 |