| ▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▴ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| CaNi4B | COD | 8103479 | P6/mmm (191) | ✔ | 12 | 106 | 3 | 0.0 | 0.001 | 0.746 | (1;000) | ✗ | 05/01/17 |
| Hg | ICSD | 25364 | P6/mmm (191) | ✔ | 3 | 36 | 3 | 0.0 | 0.020 | 0.573 | (0;001) | ✗ | 27/01/17 |
| SiO2 | ICSD | 162660 | I-42d (122) | ✗ | 6 | 32 | 3 | 5.8944 | 5.894 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Se | ICSD | 659254 | C2/c (15) | ✔ | 2 | 12 | 3 | 0.0 | 0.230 | 0.511 | (0;110) | ✗ | 15/02/17 |
| TiFeO3 | ICSD | 246515 | R3c (161) | ✗ | 10 | 76 | 3 | 0.2475 | 0.296 | 0.000 | (0;000) | ✔ | 06/10/16 |
| LiCdBO3 | ICSD | 200615 | P-1 (2) | ✔ | 12 | 72 | 3 | 2.6621 | 2.727 | 0.000 | (0;000) | ✗ | 05/01/17 |
| FeCo2B | ICSD | 603579 | Pnma (62) | ✔ | 16 | 180 | 3 | 0.0 | 0.000 | 0.387 | (0;110) | ✗ | 05/01/17 |
| TiFeO3 | ICSD | 79278 | R3c (161) | ✗ | 10 | 76 | 3 | 0.5011 | 0.525 | 0.000 | (0;000) | ✗ | 06/10/16 |
| AlCu4 | ICSD | 606887 | P2_13 (198) | ✗ | 20 | 188 | 3 | 0.0 | 0.000 | 0.605 | ? | ✗ | 16/03/17 |
| AlCuTe2 | ICSD | 28735 | I-42d (122) | ✗ | 8 | 52 | 3 | 1.3259 | 1.326 | 0.000 | (0;000) | ✗ | 16/03/17 |
| Co2B | COD | 1511063 | I4/mcm (140) | ✔ | 6 | 74 | 3 | 0.0 | 0.000 | 0.445 | (1;111) | ✗ | 05/01/17 |
| YFeCo3B | ICSD | 613036 | P6/mmm (191) | ✔ | 12 | 146 | 3 | 0.0 | 0.002 | 0.638 | (1;001) | ✗ | 05/01/17 |
| KAlSiO4 | COD | 9001818 | P31c (159) | ✗ | 14 | 80 | 3 | 4.7088 | 4.709 | 0.000 | (0;000) | ✗ | 16/03/17 |
| KAlSiO4 | COD | 9002252 | P6_3 (173) | ✗ | 14 | 80 | 3 | 4.7175 | 4.777 | 0.000 | (0;000) | ✗ | 16/03/17 |
| LiAl(SiO3)2 | COD | 9003102 | P1 (1) | ✗ | 20 | 100 | 3 | 4.6075 | 4.626 | 0.000 | (0;000) | ✗ | 16/03/17 |
| Hg | ICSD | 157861 | C2/m (12) | ✔ | 3 | 36 | 3 | 0.0 | 0.036 | 0.401 | (1;000) | ✗ | 27/01/17 |
| LiAlS2 | ICSD | 608360 | Pna2_1 (33) | ✗ | 16 | 72 | 3 | 3.9378 | 3.938 | 0.000 | (0;000) | ✗ | 16/03/17 |
| Ta2O | ICSD | 28387 | I-43m (217) | ✗ | 12 | 128 | 3 | 0.0 | 0.000 | 0.890 | ? | ✗ | 15/02/17 |
| LiAlSe2 | COD | 4321118 | Pna2_1 (33) | ✗ | 16 | 72 | 3 | 3.1395 | 3.140 | 0.000 | (0;000) | ✗ | 16/03/17 |
| NaAl(PS3)2 | ICSD | 425980 | Fdd2 (43) | ✗ | 20 | 116 | 3 | 2.6585 | 2.694 | 0.000 | (0;000) | ✗ | 16/03/17 |
| ZrHg3 | COD | 1522700 | Pm-3m (221) | ✔ | 4 | 40 | 3 | 0.0 | 0.000 | 0.688 | (1;111) | ✗ | 27/01/17 |
| AlPO4 | COD | 9006415 | P6_222 (180) | ✗ | 18 | 96 | 3 | 5.9031 | 5.917 | 0.000 | (0;000) | ✗ | 16/03/17 |
| YCo4B | COD | 1511072 | P6/mmm (191) | ✔ | 12 | 164 | 3 | 0.0 | 0.005 | 0.493 | (1;000) | ✗ | 05/01/17 |
| ZrAlPt | ICSD | 156266 | P-62c (190) | ✗ | 18 | 102 | 3 | 0.0 | 0.000 | 0.608 | ? | ✗ | 16/03/17 |
| Ba(AsPd)2 | ICSD | 36377 | I4/mmm (139) | ✔ | 10 | 112 | 3 | 0.0 | 0.011 | 0.884 | (0;111) | ✗ | 16/03/17 |
| CdSnAs2 | ICSD | 22182 | I-42d (122) | ✗ | 8 | 72 | 3 | 0.0 | 0.046 | 0.012 | (1;000) | ✔ | 16/03/17 |
| CoBMo | COD | 1511054 | Pnma (62) | ✔ | 12 | 136 | 3 | 0.0 | 0.006 | 0.231 | (0;000) | ✗ | 05/01/17 |
| Ti3FeO7 | ICSD | 190042 | Imm2 (44) | ✗ | 11 | 86 | 3 | 0.0 | 0.026 | 0.691 | ? | ✗ | 06/10/16 |
| CoB | COD | 9008945 | Pnma (62) | ✔ | 8 | 80 | 3 | 0.0 | 0.039 | 0.086 | (0;000) | ✗ | 05/01/17 |
| CoReB | COD | 1511055 | Pnma (62) | ✔ | 12 | 140 | 3 | 0.0 | 0.001 | 0.512 | (0;011) | ✗ | 05/01/17 |
| Hf3As2 | ICSD | 610637 | Pnma (62) | ✔ | 20 | 184 | 3 | 0.0 | 0.010 | 0.418 | (1;000) | ✗ | 21/03/17 |
| Mn3As2 | ICSD | 73251 | Cmc2_1 (36) | ✗ | 20 | 220 | 3 | 0.0 | 0.000 | 0.809 | ? | ✗ | 21/03/17 |
| Mn3As2 | ICSD | 75510 | C2/m (12) | ✔ | 10 | 110 | 3 | 0.0 | 0.006 | 0.766 | (1;000) | ✗ | 21/03/17 |
| V4As2O13 | ICSD | 60781 | P1 (1) | ✗ | 19 | 140 | 3 | 0.0 | 0.012 | 0.656 | ? | ✗ | 21/03/17 |
| As2O3 | COD | 4513294 | P2_1 (4) | ✗ | 20 | 112 | 3 | 2.5456 | 2.777 | 0.000 | (0;000) | ✗ | 21/03/17 |
| Hg | ICSD | 43558 | I4/mmm (139) | ✔ | 1 | 12 | 3 | 0.0 | 0.043 | 0.465 | (1;111) | ✗ | 27/01/17 |
| Sc3As2 | ICSD | 611355 | P4/m (83) | ✔ | 20 | 172 | 3 | 0.0 | 0.000 | 0.774 | (0;111) | ✗ | 21/03/17 |
| P2O5 | ICSD | 77377 | Fdd2 (43) | ✗ | 14 | 80 | 3 | 5.886 | 5.886 | 0.000 | (0;000) | ✗ | 15/02/17 |
| Sc3As2 | ICSD | 611359 | Pnma (62) | ✔ | 20 | 172 | 3 | 0.0 | 0.000 | 0.773 | (0;011) | ✗ | 21/03/17 |
| Sc3As2 | COD | 1528350 | Pnma (62) | ✔ | 20 | 172 | 3 | 0.0 | 0.000 | 0.912 | (1;011) | ✗ | 21/03/17 |
| V3As2 | COD | 1529103 | P4/m (83) | ✔ | 20 | 196 | 3 | 0.0 | 0.000 | 0.706 | (1;110) | ✗ | 21/03/17 |
| TlHg(NO2)3 | COD | 1010351 | Pm3 (200) | ✔ | 11 | 76 | 3 | 0.0 | 0.000 | 0.952 | (0;111) | ✗ | 27/01/17 |
| Mg3Hg | COD | 1523297 | P6_3/mmc (194) | ✔ | 8 | 84 | 3 | 0.0 | 0.023 | 0.588 | (1;000) | ✗ | 27/01/17 |
| SiO2 | ICSD | 170510 | I4_122 (98) | ✗ | 12 | 64 | 3 | 5.05 | 5.050 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Cr4As3 | ICSD | 66761 | Cm (8) | ✗ | 14 | 142 | 3 | 0.0 | 0.003 | 0.670 | ? | ✗ | 21/03/17 |
| Cs6InAs3 | ICSD | 300145 | P2_1/m (11) | ✔ | 20 | 164 | 3 | 0.8866 | 0.887 | 0.000 | (0;000) | ✗ | 21/03/17 |
| Mn4As3 | ICSD | 80375 | C2/m (12) | ✔ | 14 | 150 | 3 | 0.0 | 0.003 | 0.608 | (1;111) | ✗ | 21/03/17 |
| Cr2B | COD | 1009055 | I4/mcm (140) | ✔ | 6 | 62 | 3 | 0.0 | 0.000 | 0.611 | (1;000) | ✗ | 05/01/17 |
| Ti4As3 | ICSD | 611492 | I-43d (220) | ✗ | 14 | 126 | 3 | 0.0 | 0.000 | 0.960 | ? | ✗ | 21/03/17 |
| CrBO3 | COD | 2310093 | R-3c (167) | ✔ | 10 | 70 | 3 | 0.0 | 0.000 | 0.476 | (0;000) | ✗ | 05/01/17 |
| CsNbN2 | ICSD | 72546 | Fd-3m (227) | ✔ | 8 | 64 | 3 | 1.8404 | 1.853 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Fe(SiP)4 | ICSD | 79005 | P1 (1) | ✗ | 9 | 44 | 3 | 1.0026 | 1.287 | 0.000 | (0;000) | ✗ | 06/10/16 |
| CsCuO | ICSD | 40161 | Cmcm (63) | ✔ | 6 | 52 | 3 | 1.0614 | 1.065 | 0.000 | (0;000) | ✗ | 27/01/17 |
| MgAs4 | COD | 2106317 | P4_12_12 (92) | ✗ | 20 | 120 | 3 | 0.836 | 0.848 | 0.000 | (0;000) | ✗ | 21/03/17 |
| Mn5As4 | ICSD | 73252 | Cmc2_1 (36) | ✗ | 18 | 190 | 3 | 1.1774 | 0.002 | 1.000 | (0;000) | ✗ | 21/03/17 |
| RbHg(NO2)3 | COD | 1010349 | Pm3 (200) | ✔ | 11 | 72 | 3 | 0.0 | 0.000 | 0.787 | (1;000) | ✗ | 27/01/17 |
| Sc3TlC | ICSD | 50164 | Pm-3m (221) | ✔ | 5 | 50 | 3 | 0.0 | 0.000 | 0.059 | (1;000) | ✗ | 27/01/17 |
| FeSbPt | ICSD | 103606 | P2_13 (198) | ✗ | 12 | 92 | 3 | 0.0 | 0.000 | 0.320 | ? | ✗ | 06/10/16 |
| Cd2BiAsO6 | ICSD | 154151 | Cmc2_1 (36) | ✗ | 20 | 160 | 3 | 2.4619 | 2.493 | 0.000 | (0;000) | ✗ | 21/03/17 |
| AgBr | ICSD | 56549 | P2_1/m (11) | ✔ | 4 | 36 | 3 | 0.3803 | 1.889 | 0.000 | (0;000) | ✔ | 06/10/16 |
| CdHgAsBr | ICSD | 240354 | Pmma (51) | ✔ | 16 | 144 | 3 | 0.6512 | 0.918 | 0.000 | (0;000) | ✗ | 21/03/17 |
| HgMoO4 | ICSD | 2533 | C2/c (15) | ✔ | 12 | 100 | 3 | 2.1395 | 2.474 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Sc6FeSb2 | ICSD | 96247 | P-62m (189) | ✗ | 9 | 84 | 3 | 0.0 | 0.000 | 0.655 | ? | ✗ | 06/10/16 |
| MgHg | COD | 9008819 | Pm-3m (221) | ✔ | 2 | 22 | 3 | 0.0 | 0.351 | 0.605 | (0;000) | ✗ | 27/01/17 |
| Cd2AsCl2 | COD | 1001161 | P2_1/c (14) | ✔ | 20 | 172 | 3 | 1.2332 | 1.371 | 0.000 | (0;000) | ✗ | 21/03/17 |
| Hg2AsCl2 | ICSD | 39930 | C2/m (12) | ✔ | 20 | 172 | 3 | 1.4642 | 1.834 | 0.000 | (0;000) | ✗ | 21/03/17 |
| Cs | ICSD | 173930 | Pbcm (57) | ✔ | 4 | 36 | 3 | 0.0 | 0.004 | 0.757 | (1;100) | ✗ | 27/01/17 |
| CsHgF3 | COD | 1527533 | Pm-3m (221) | ✔ | 5 | 42 | 3 | 0.5586 | 2.703 | 0.000 | (0;000) | ✗ | 27/01/17 |
| CuCO3 | COD | 9000104 | R-3c (167) | ✔ | 10 | 66 | 3 | 0.0 | 0.000 | 0.632 | (0;000) | ✗ | 27/01/17 |
| KCu4AsS4 | ICSD | 75430 | P2_1 (4) | ✗ | 20 | 164 | 3 | 1.3981 | 1.462 | 0.000 | (0;000) | ✗ | 21/03/17 |
| Tl2CuAsO4 | ICSD | 407563 | P2_1 (4) | ✗ | 16 | 132 | 3 | 1.3444 | 1.466 | 0.000 | (0;000) | ✗ | 21/03/17 |
| CuAsSe | ICSD | 610356 | Pna2_1 (33) | ✗ | 12 | 88 | 3 | 0.0 | 0.031 | 0.192 | (1;000) | ✔ | 21/03/17 |
| Ga2AsRh5 | ICSD | 56973 | Pbam (55) | ✔ | 16 | 232 | 3 | 0.0 | 0.023 | 0.577 | (1;000) | ✗ | 21/03/17 |
| GaAsO4 | COD | 1518032 | P3_121 (152) | ✗ | 18 | 126 | 3 | 3.387 | 3.502 | 0.000 | (0;000) | ✗ | 21/03/17 |
| Y6FeSb2 | ICSD | 96248 | P-62m (189) | ✗ | 9 | 84 | 3 | 0.0 | 0.000 | 0.526 | ? | ✗ | 06/10/16 |
| HfAsRu | ICSD | 610655 | Ima2 (46) | ✗ | 18 | 198 | 3 | 0.0 | 0.003 | 0.659 | ? | ✗ | 21/03/17 |
| Sn3As4 | ICSD | 163834 | P-43m (215) | ✗ | 7 | 62 | 3 | 0.3902 | 0.463 | 0.000 | (0;000) | ✔ | 06/10/16 |
| CsFeF3 | ICSD | 49583 | Pm-3m (221) | ✔ | 5 | 38 | 3 | 0.0 | 0.090 | 0.648 | (0;000) | ✗ | 27/01/17 |
| Zr6FeSb2 | ICSD | 156949 | P-62m (189) | ✗ | 9 | 42 | 3 | 0.0 | 0.000 | 0.919 | ? | ✗ | 06/10/16 |
| Si2N2O | ICSD | 200251 | Cmc2_1 (36) | ✗ | 10 | 48 | 3 | 5.4656 | 5.479 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Mn3As | ICSD | 40437 | Cmcm (63) | ✔ | 8 | 100 | 3 | 0.0 | 0.014 | 0.586 | (0;000) | ✗ | 21/03/17 |
| Cs | ICSD | 109023 | P6_3/mmc (194) | ✔ | 4 | 36 | 3 | 0.0 | 0.027 | 0.689 | (1;000) | ✗ | 27/01/17 |
| NaNiAsO4 | ICSD | 63353 | R-3 (148) | ✔ | 14 | 96 | 3 | 0.0 | 0.010 | 0.068 | (0;000) | ✗ | 21/03/17 |
| CsPbF3 | COD | 1525673 | Pm-3m (221) | ✔ | 5 | 44 | 3 | 1.5049 | 1.505 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Sc6FeTe2 | ICSD | 90081 | P-62m (189) | ✗ | 9 | 86 | 3 | 0.0 | 0.000 | 0.534 | ? | ✗ | 06/10/16 |
| CsNiF3 | COD | 1527099 | P6_3/mmc (194) | ✔ | 10 | 80 | 3 | 0.0 | 0.007 | 0.273 | (0;000) | ✗ | 27/01/17 |
| Tl3AsO4 | ICSD | 407561 | P6_3 (173) | ✗ | 16 | 136 | 3 | 2.3911 | 2.619 | 0.000 | (0;000) | ✗ | 21/03/17 |
| AsPd3 | ICSD | 611189 | I-4 (82) | ✗ | 16 | 236 | 3 | 0.0 | 0.022 | 0.832 | ? | ✗ | 21/03/17 |
| CsHg(NO2)3 | COD | 1010350 | Pm3 (200) | ✔ | 11 | 72 | 3 | 0.0 | 0.000 | 0.653 | (1;000) | ✗ | 27/01/17 |
| TiAsRu | ICSD | 611300 | Ima2 (46) | ✗ | 18 | 198 | 3 | 0.0 | 0.004 | 0.701 | ? | ✗ | 21/03/17 |
| Zr6FeTe2 | ICSD | 82530 | P-62m (189) | ✗ | 9 | 44 | 3 | 0.0 | 0.000 | 0.846 | (0;100) | ✔ | 06/10/16 |
| CsFeO2 | ICSD | 421173 | Fd-3m (227) | ✔ | 8 | 58 | 3 | 0.0 | 0.000 | 0.275 | (0;000) | ✗ | 27/01/17 |
| Ba(InAu)2 | COD | 4308151 | Pnma (62) | ✔ | 20 | 232 | 3 | 0.0 | 0.006 | 0.938 | (0;000) | ✗ | 21/03/17 |
| HgO2 | ICSD | 655816 | C2/m (12) | ✔ | 3 | 24 | 3 | 0.8821 | 1.430 | 0.000 | (0;000) | ✗ | 27/01/17 |
| MnInCu2 | COD | 1525451 | Fm-3m (225) | ✔ | 4 | 50 | 3 | 0.0 | 0.023 | 0.030 | (1;000) | ✗ | 27/01/17 |
| Zr2CS | COD | 9008972 | P6_3/mmc (194) | ✔ | 8 | 36 | 3 | 0.0 | 0.015 | 0.336 | (0;000) | ✗ | 27/01/17 |
| InS | ICSD | 15931 | Pnnm (58) | ✔ | 8 | 76 | 3 | 0.6548 | 1.429 | 0.000 | (0;000) | ✗ | 27/01/17 |
| SiO2 | ICSD | 413210 | Cc (9) | ✗ | 12 | 64 | 3 | 5.8723 | 5.872 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Sr(InAu)2 | COD | 4308152 | Pnma (62) | ✔ | 20 | 232 | 3 | 0.0 | 0.009 | 0.886 | (0;000) | ✗ | 21/03/17 |
| Nb3Au2 | ICSD | 612191 | P4_132 (213) | ✗ | 20 | 244 | 3 | 0.0 | 0.000 | 0.820 | ? | ✗ | 21/03/17 |