| ▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▴ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| ZrF4 | COD | 2019609 | P2_1/c (14) | ✔ | 20 | 128 | 3 | 5.2782 | 5.321 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Fe2O2F5 | COD | 9015576 | Imma (74) | ✔ | 18 | 126 | 3 | 0.0 | 0.000 | 0.452 | (1;001) | ✗ | 02/02/17 |
| CuS2 | ICSD | 628782 | Pnnm (58) | ✔ | 6 | 46 | 3 | 0.0 | 0.000 | 0.970 | (0;110) | ✗ | 27/01/17 |
| InAuO2 | COD | 1510192 | P6_3/mmc (194) | ✔ | 8 | 72 | 3 | 0.0 | 0.536 | 0.147 | (0;000) | ✗ | 05/01/17 |
| BC2N | ICSD | 93041 | Pmm2 (25) | ✗ | 4 | 16 | 3 | 1.7669 | 1.967 | 0.000 | (0;000) | ✗ | 06/10/16 |
| ZrCoGe | ICSD | 623685 | Pnma (62) | ✔ | 12 | 100 | 3 | 0.0 | 0.000 | 0.636 | (1;011) | ✗ | 27/01/17 |
| Cd(CN)2 | ICSD | 20748 | P-43m (215) | ✗ | 10 | 60 | 3 | 6.5073 | 6.601 | 0.000 | (0;000) | ✗ | 06/10/16 |
| OsN | ICSD | 167513 | Pmn2_1 (31) | ✗ | 4 | 42 | 3 | 0.0 | 0.000 | 0.868 | (0;001) | ✔ | 06/10/16 |
| Hf2CoP | ICSD | 84827 | P2_1/m (11) | ✔ | 8 | 92 | 3 | 0.0 | 0.014 | 0.572 | (0;000) | ✗ | 27/01/17 |
| Sn2OF5 | COD | 8101512 | C2/m (12) | ✔ | 16 | 138 | 3 | 2.3848 | 2.974 | 0.000 | (0;000) | ✗ | 02/02/17 |
| RbPd2F5 | ICSD | 72299 | Imma (74) | ✔ | 16 | 160 | 3 | 0.0 | 0.006 | 0.556 | (0;000) | ✗ | 02/02/17 |
| CoH2SO5 | COD | 9009371 | C2/c (15) | ✔ | 18 | 110 | 3 | 0.0 | 0.001 | 0.531 | (1;100) | ✗ | 27/01/17 |
| LiGaPdF6 | ICSD | 78748 | P-31c (163) | ✔ | 18 | 152 | 3 | 0.0 | 0.005 | 0.096 | (0;000) | ✗ | 02/02/17 |
| Cd(CN)2 | ICSD | 66938 | P-43m (215) | ✗ | 10 | 60 | 3 | 5.9885 | 6.081 | 0.000 | (0;000) | ✗ | 06/10/16 |
| CuSe2 | ICSD | 242 | Pmnn (58) | ✔ | 6 | 46 | 3 | 0.0 | 0.000 | 0.939 | (0;000) | ✗ | 06/10/16 |
| YCoC2 | ICSD | 57007 | C2mm (38) | ✗ | 4 | 28 | 3 | 0.0 | 0.036 | 0.259 | (1;100) | ✔ | 06/10/16 |
| Li3Au | COD | 1510223 | Fm-3m (225) | ✔ | 4 | 20 | 3 | 0.0 | 0.253 | 0.656 | (0;000) | ✗ | 05/01/17 |
| LiSnAu | COD | 7209391 | P6_3/mmc (194) | ✔ | 6 | 56 | 3 | 0.0 | 0.021 | 0.553 | (0;000) | ✗ | 05/01/17 |
| ZrVGe | ICSD | 88210 | I4/mmm (139) | ✔ | 6 | 42 | 3 | 0.0 | 0.014 | 0.710 | (0;111) | ✗ | 27/01/17 |
| YTiGe | COD | 1521601 | P4/nmm (129) | ✔ | 6 | 54 | 3 | 0.0 | 0.000 | 0.648 | (0;001) | ✗ | 27/01/17 |
| MnCoO3 | ICSD | 31854 | R-3 (148) | ✔ | 10 | 100 | 3 | 0.0 | 0.006 | 0.610 | (1;000) | ✗ | 27/01/17 |
| Re3N | ICSD | 188352 | P-6m2 (187) | ✗ | 4 | 50 | 3 | 0.0 | 0.000 | 0.675 | (0;100) | ✔ | 06/10/16 |
| Mg3Au | ICSD | 612138 | P6_3/mmc (194) | ✔ | 8 | 82 | 3 | 0.0 | 0.000 | 0.849 | (0;000) | ✗ | 05/01/17 |
| YCoC2 | ICSD | 617465 | C2mm (38) | ✗ | 4 | 28 | 3 | 0.0 | 0.036 | 0.259 | (1;100) | ✔ | 06/10/16 |
| LiV2F6 | ICSD | 35382 | P4_2/mnm (136) | ✔ | 18 | 142 | 3 | 0.0 | 0.000 | 0.658 | (1;000) | ✗ | 02/02/17 |
| HfCoSi | ICSD | 623795 | Pnma (62) | ✔ | 12 | 132 | 3 | 0.0 | 0.000 | 0.522 | (1;011) | ✗ | 27/01/17 |
| YCoC2 | ICSD | 617468 | C2mm (38) | ✗ | 4 | 28 | 3 | 0.0 | 0.032 | 0.257 | (0;000) | ✔ | 06/10/16 |
| CN2 | ICSD | 247680 | Cmc2_1 (36) | ✗ | 6 | 28 | 3 | 1.1333 | 1.133 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Co(RhO2)2 | ICSD | 109301 | Fd-3m (227) | ✔ | 14 | 150 | 3 | 0.0 | 0.000 | 0.189 | (0;000) | ✗ | 27/01/17 |
| GeS | ICSD | 155418 | Cmcm (63) | ✔ | 4 | 20 | 3 | 0.0 | 0.012 | 0.256 | (0;000) | ✗ | 06/10/16 |
| Zn(CN)2 | ICSD | 22392 | P-43m (215) | ✗ | 10 | 60 | 3 | 6.8701 | 7.033 | 0.000 | (0;000) | ✗ | 06/10/16 |
| RbNi2F6 | ICSD | 31781 | Imma (74) | ✔ | 18 | 142 | 3 | 0.0 | 0.001 | 0.462 | (0;101) | ✗ | 02/02/17 |
| Nb3Au | COD | 1510253 | Pm-3n (223) | ✔ | 8 | 100 | 3 | 0.0 | 0.000 | 0.689 | (1;111) | ✗ | 05/01/17 |
| CoMoO4 | COD | 7205001 | P2/c (13) | ✔ | 12 | 110 | 3 | 0.0 | 0.000 | 0.788 | (1;100) | ✗ | 27/01/17 |
| ZrPbF6 | ICSD | 4051 | Cmme (67) | ✔ | 16 | 120 | 3 | 4.6036 | 4.647 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Zn(CN)2 | ICSD | 66937 | P-43m (215) | ✗ | 10 | 60 | 3 | 6.0028 | 6.146 | 0.000 | (0;000) | ✗ | 06/10/16 |
| CoHO2 | COD | 9009449 | P6_3/mmc (194) | ✔ | 8 | 60 | 3 | 0.7607 | 0.923 | 0.000 | (0;000) | ✗ | 27/01/17 |
| V3Ge | ICSD | 603983 | Pm-3n (223) | ✔ | 8 | 86 | 3 | 0.0 | 0.000 | 0.863 | (1;000) | ✗ | 27/01/17 |
| MnCoSi | COD | 1009072 | Pnma (62) | ✔ | 12 | 144 | 3 | 0.0 | 0.005 | 0.289 | (0;000) | ✗ | 27/01/17 |
| RbZrMnF7 | ICSD | 78042 | P2_1/m (11) | ✔ | 20 | 154 | 3 | 0.0 | 0.000 | 0.863 | (1;000) | ✗ | 02/02/17 |
| ZrMnTlF7 | ICSD | 78041 | P2_1/m (11) | ✔ | 20 | 162 | 3 | 0.0 | 0.000 | 0.722 | (1;001) | ✗ | 02/02/17 |
| TaPbF7 | ICSD | 417253 | P2_1/m (11) | ✔ | 18 | 152 | 3 | 4.9128 | 5.256 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Ti5Al2C3 | ICSD | 187748 | R3m (160) | ✗ | 10 | 78 | 3 | 0.0 | 0.002 | 0.953 | ? | ✗ | 06/10/16 |
| ScAuO2 | COD | 1510262 | P6_3/mmc (194) | ✔ | 8 | 68 | 3 | 1.5211 | 1.922 | 0.000 | (0;000) | ✗ | 05/01/17 |
| Hf3Fe2Si3 | ICSD | 632268 | Cmcm (63) | ✔ | 16 | 128 | 3 | 0.0 | 0.006 | 0.706 | (1;110) | ✗ | 02/02/17 |
| Hf(FeSi)2 | ICSD | 20933 | Pbcm (57) | ✔ | 20 | 144 | 3 | 0.0 | 0.002 | 0.275 | (1;001) | ✗ | 02/02/17 |
| YAuO2 | COD | 1510263 | P6_3/mmc (194) | ✔ | 8 | 68 | 3 | 2.3253 | 2.480 | 0.000 | (0;000) | ✗ | 05/01/17 |
| RhN | ICSD | 167872 | F-43m (216) | ✗ | 2 | 22 | 3 | 0.0 | 0.031 | 0.689 | (1;000) | ✔ | 06/10/16 |
| K3(FeO2)2 | COD | 1531776 | Fddd (70) | ✔ | 18 | 134 | 3 | 0.0 | 0.000 | 0.470 | (1;111) | ✗ | 02/02/17 |
| Al6C3N2 | ICSD | 14399 | R3m (160) | ✗ | 11 | 40 | 3 | 0.0 | 0.001 | 0.475 | (1;000) | ✔ | 06/10/16 |