| ▹ Formula | ▴ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Li2CO3 | COD | 2310703 | C2/c (15) | ✔ | 12 | 56 | 1 | 5.282 | 5.417 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Li2CN2 | COD | 4031435 | I4/mmm (139) | ✔ | 5 | 20 | 1 | 3.7439 | 3.744 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Li2CO3 | COD | 1531432 | P6_3/mcm (193) | ✔ | 12 | 56 | 1 | 3.5493 | 4.009 | 0.000 | (0;000) | ✗ | 27/01/17 |
| NaClO4 | COD | 1010214 | Cmcm (63) | ✔ | 12 | 80 | 1 | 3.4632 | 3.634 | 0.000 | (0;000) | ✗ | 27/01/17 |
| KClO3 | COD | 1010217 | P2_1/m (11) | ✔ | 10 | 68 | 1 | 1.326 | 1.347 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Tl3SbS4 | COD | 8103549 | P1 (1) | ✗ | 16 | 136 | 1 | 0.0 | 0.058 | 1.000 | ? | ✗ | 29/03/17 |
| KClO2 | COD | 2014618 | Cmcm (63) | ✔ | 8 | 56 | 1 | 2.279 | 3.000 | 0.000 | (0;000) | ✗ | 27/01/17 |
| KClO2 | COD | 9014207 | P2_1/m (11) | ✔ | 16 | 112 | 2 | 0.0 | 0.004 | 0.426 | (0;010) | ✗ | 27/01/17 |
| TlV5S8 | COD | 1524378 | C2 (5) | ✗ | 14 | 126 | 3 | 0.0 | 0.001 | 0.550 | ? | ✗ | 29/03/17 |
| Na3ClO | COD | 9007768 | Pm-3m (221) | ✔ | 5 | 40 | 1 | 2.1182 | 2.118 | 0.000 | (0;000) | ✗ | 27/01/17 |
| ZnSb2 | COD | 9015418 | P-4n2 (118) | ✗ | 6 | 44 | 3 | 0.0 | 0.012 | 0.273 | (0;011) | ✔ | 29/03/17 |
| KCl | COD | 1000050 | Pm-3m (221) | ✔ | 2 | 16 | 1 | 5.5772 | 5.766 | 0.000 | (0;000) | ✗ | 27/01/17 |
| KCl | COD | 9003138 | Fm-3m (225) | ✔ | 2 | 16 | 1 | 5.12 | 5.120 | 0.000 | (0;000) | ✗ | 27/01/17 |
| CO2 | COD | 1010150 | Pn-3m (224) | ✔ | 12 | 64 | 3 | 1.7292 | 1.729 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Sc2Te3 | COD | 9008008 | Fddd (70) | ✔ | 20 | 160 | 3 | 0.0 | 0.006 | 0.217 | (1;111) | ✗ | 29/03/17 |
| MnCO3 | COD | 1011228 | R-3c (167) | ✔ | 10 | 74 | 3 | 0.0 | 0.000 | 0.716 | (0;000) | ✗ | 27/01/17 |
| Sc | COD | 4326666 | Ia3 (206) | ✔ | 16 | 176 | 3 | 0.0 | 0.000 | 0.865 | (1;000) | ✗ | 29/03/17 |
| YClO | COD | 9009190 | P4/nmm (129) | ✔ | 6 | 48 | 3 | 4.19 | 4.190 | 0.000 | (0;000) | ✗ | 27/01/17 |
| SbPbClO2 | COD | 9010005 | Cmcm (63) | ✔ | 10 | 76 | 1 | 0.0 | 1.773 | 1.000 | (0;000) | ✗ | 27/01/17 |
| Sr2NCl | COD | 1528370 | R-3m (166) | ✔ | 4 | 32 | 1 | 1.8349 | 1.835 | 0.000 | (0;000) | ✗ | 27/01/17 |
| ZrNCl | COD | 1521250 | R-3m (166) | ✔ | 6 | 32 | 2 | 1.1497 | 1.792 | 0.000 | (0;000) | ✗ | 27/01/17 |
| VClO | COD | 2106692 | Pmmn (59) | ✔ | 6 | 52 | 2 | 0.0 | 0.002 | 0.323 | (1;001) | ✗ | 27/01/17 |
| Cl2 | COD | 1512500 | Cmce (64) | ✔ | 4 | 28 | 1 | 2.3148 | 2.315 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Ti2Sn3 | COD | 4000005 | Cmce (64) | ✔ | 20 | 264 | 3 | 0.0 | 0.010 | 0.504 | (1;110) | ✗ | 29/03/17 |
| Cl2 | COD | 9013120 | Cmce (64) | ✔ | 4 | 28 | 1 | 2.5394 | 2.567 | 0.000 | (0;000) | ✗ | 27/01/17 |
| TiS | COD | 9015328 | R-3m (166) | ✔ | 6 | 54 | 3 | 0.0 | 0.005 | 0.828 | (1;111) | ✗ | 29/03/17 |
| MgCO6 | COD | 5910029 | R-3m (166) | ✔ | 8 | 50 | 3 | 0.0 | 0.017 | 0.392 | (0;000) | ✗ | 27/01/17 |
| ScCl | COD | 4343683 | R-3m (166) | ✔ | 4 | 36 | 2 | 0.0 | 0.004 | 0.709 | (0;000) | ✗ | 27/01/17 |
| RbCl | COD | 1011313 | Pm-3m (221) | ✔ | 2 | 16 | 1 | 5.7453 | 5.753 | 0.000 | (0;000) | ✗ | 27/01/17 |
| ZnS | COD | 9000085 | P6_3mc (186) | ✗ | 20 | 180 | 3 | 2.0884 | 2.088 | 0.000 | (0;000) | ✗ | 29/03/17 |
| ZnS | COD | 9000086 | P6_3mc (186) | ✗ | 16 | 144 | 3 | 2.1007 | 2.101 | 0.000 | (0;000) | ✗ | 29/03/17 |
| ZnS | COD | 9013162 | P6_3mc (186) | ✗ | 12 | 108 | 3 | 2.1312 | 2.131 | 0.000 | (0;000) | ✗ | 29/03/17 |
| RbCl | COD | 8103714 | Fm-3m (225) | ✔ | 2 | 16 | 1 | 5.0035 | 5.004 | 0.000 | (0;000) | ✗ | 27/01/17 |
| ZrTc2 | COD | 1501466 | P6_3/mmc (194) | ✔ | 12 | 136 | 3 | 26.7426 | 0.012 | 1.000 | (0;000) | ✗ | 29/03/17 |
| MgCO3 | COD | 9001853 | R-3c (167) | ✔ | 10 | 64 | 3 | 5.1187 | 5.693 | 0.000 | (0;000) | ✗ | 27/01/17 |
| TlTe | COD | 1521987 | I4/mcm (140) | ✔ | 16 | 152 | 3 | 2.2939 | 0.010 | 1.000 | (0;000) | ✗ | 29/03/17 |
| TlCl | COD | 9008794 | Pm-3m (221) | ✔ | 2 | 20 | 1 | 1.6046 | 1.903 | 0.000 | (0;000) | ✗ | 27/01/17 |
| W | COD | 9008583 | Pm-3n (223) | ✔ | 8 | 112 | 3 | 0.0 | 0.008 | 1.000 | (1;000) | ✗ | 29/03/17 |
| MgNi3C | COD | 1100063 | Pm-3m (221) | ✔ | 5 | 44 | 3 | 0.0 | 0.000 | 0.724 | (1;111) | ✗ | 27/01/17 |
| Co2P2O7 | COD | 2009595 | C2/m (12) | ✔ | 11 | 86 | 3 | 0.0 | 0.010 | 0.460 | (1;000) | ✗ | 27/01/17 |
| Nb2CS2 | COD | 1532143 | R-3m (166) | ✔ | 5 | 42 | 2 | 0.0 | 0.017 | 0.340 | (0;111) | ✗ | 27/01/17 |
| SrCN2 | COD | 2204347 | R-3m (166) | ✔ | 4 | 24 | 1 | 3.2298 | 4.229 | 0.000 | (0;000) | ✗ | 27/01/17 |
| MnCO3 | COD | 9007691 | R-3c (167) | ✔ | 10 | 74 | 3 | 0.0 | 0.001 | 0.699 | (0;000) | ✗ | 27/01/17 |
| KTcO4 | COD | 1501467 | I4_1/a (88) | ✔ | 12 | 96 | 1 | 1.4113 | 0.145 | 1.000 | (0;000) | ✗ | 10/04/17 |
| NiCN2 | COD | 4307549 | P6_3/mmc (194) | ✔ | 8 | 48 | 3 | 0.0 | 0.035 | 0.177 | (0;000) | ✗ | 27/01/17 |
| Nb2CS2 | COD | 1532142 | P-3m1 (164) | ✔ | 5 | 42 | 2 | 0.0 | 0.034 | 0.307 | (1;001) | ✗ | 27/01/17 |
| Na2CO3 | COD | 9011304 | C2/m (12) | ✔ | 12 | 80 | 1 | 3.9041 | 3.923 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Y2Sn5Rh3 | COD | 1522512 | Cmc2_1 (36) | ✗ | 20 | 286 | 3 | 0.0 | 0.000 | 0.972 | ? | ✗ | 10/04/17 |
| NaCO2 | COD | 8103690 | P2_1/c (14) | ✔ | 16 | 100 | 1 | 2.5411 | 2.613 | 0.000 | (0;000) | ✗ | 27/01/17 |
| SnRh | COD | 7221174 | P2_13 (198) | ✗ | 8 | 124 | 3 | 0.0 | 0.000 | 0.365 | (0;100) | ✔ | 10/04/17 |
| NbCo2 | COD | 1525052 | Fd-3m (227) | ✔ | 6 | 94 | 3 | 0.0 | 0.000 | 0.653 | (0;000) | ✗ | 27/01/17 |
| NbGaCo2 | COD | 1524143 | Fm-3m (225) | ✔ | 4 | 60 | 3 | 0.0 | 0.023 | 0.653 | (0;000) | ✗ | 27/01/17 |
| Ni3C | COD | 1528750 | R-3c (167) | ✔ | 8 | 68 | 3 | 0.0 | 0.002 | 0.520 | (0;000) | ✗ | 27/01/17 |
| NiCO3 | COD | 9007712 | R-3c (167) | ✔ | 10 | 64 | 3 | 0.0 | 0.009 | 0.110 | (0;000) | ✗ | 27/01/17 |
| HfCo2 | COD | 1524140 | Fd-3m (227) | ✔ | 6 | 92 | 3 | 0.0 | 0.000 | 0.620 | (0;000) | ✗ | 27/01/17 |
| AlBW | COD | 4343329 | Cmcm (63) | ✔ | 6 | 68 | 3 | 0.0 | 0.097 | 0.225 | (1;110) | ✗ | 11/04/17 |
| TaGaCo2 | COD | 1524886 | Fm-3m (225) | ✔ | 4 | 60 | 3 | 0.0 | 0.058 | 0.617 | (0;000) | ✗ | 27/01/17 |
| VGaCo2 | COD | 1524871 | Fm-3m (225) | ✔ | 4 | 60 | 3 | 0.0 | 0.011 | 0.486 | (0;000) | ✗ | 27/01/17 |
| Cu2GeO4 | COD | 1524532 | I4_1/amd (141) | ✔ | 14 | 100 | 3 | 0.0 | 0.001 | 0.845 | (1;111) | ✗ | 27/01/17 |
| Fe(BW)2 | COD | 1510686 | P4/mbm (127) | ✔ | 10 | 140 | 3 | 0.0 | 0.012 | 0.601 | (1;000) | ✗ | 11/04/17 |
| NbCr2 | COD | 1524739 | Fd-3m (227) | ✔ | 6 | 82 | 3 | 0.0 | 0.000 | 0.858 | (0;000) | ✗ | 27/01/17 |
| CrCoGe | COD | 8101260 | P6_3/mmc (194) | ✔ | 6 | 70 | 3 | 0.0 | 0.000 | 0.845 | (1;000) | ✗ | 27/01/17 |
| B2W | COD | 1510852 | P6_3/mmc (194) | ✔ | 12 | 136 | 3 | 0.0 | 0.043 | 0.756 | (0;000) | ✗ | 11/04/17 |
| Co(BW)3 | COD | 1510898 | Cmcm (63) | ✔ | 14 | 220 | 3 | 0.0 | 0.011 | 0.418 | (0;110) | ✗ | 11/04/17 |
| Co3W | COD | 1524836 | P6_3/mmc (194) | ✔ | 8 | 130 | 3 | 0.0 | 0.000 | 0.708 | (0;000) | ✗ | 27/01/17 |
| B4W | COD | 2310108 | P6_3/mmc (194) | ✔ | 20 | 160 | 3 | 0.0 | 0.018 | 0.540 | (1;000) | ✗ | 11/04/17 |
| TiCo2Sn | COD | 1525529 | Fm-3m (225) | ✔ | 4 | 60 | 3 | 0.0 | 0.000 | 0.685 | (0;000) | ✗ | 27/01/17 |
| Co2P | COD | 9009202 | Pnma (62) | ✔ | 12 | 156 | 3 | 0.0 | 0.000 | 0.445 | (1;011) | ✗ | 27/01/17 |
| CO2 | COD | 9009242 | Pbcn (60) | ✔ | 12 | 64 | 1 | 0.5282 | 0.795 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Cu(BiO2)2 | COD | 2002233 | I4 (79) | ✗ | 14 | 130 | 3 | 0.0 | 0.015 | 0.180 | (0;000) | ✔ | 11/04/17 |
| Bi2WO6 | COD | 1528731 | C2/m (12) | ✔ | 18 | 188 | 3 | 1.9362 | 2.313 | 0.000 | (0;000) | ✗ | 11/04/17 |
| Bi3S3O2 | COD | 4119563 | I4/mmm (139) | ✔ | 16 | 150 | 1 | 0.0 | 0.029 | 0.128 | (0;000) | ✗ | 11/04/17 |
| Sr(CoP)2 | COD | 7221160 | I4/mmm (139) | ✔ | 5 | 54 | 2 | 0.0 | 0.002 | 0.607 | (0;111) | ✗ | 27/01/17 |
| Co2Sn | COD | 1525127 | P6_3/mmc (194) | ✔ | 6 | 96 | 3 | 0.0 | 0.021 | 0.584 | (0;000) | ✗ | 27/01/17 |
| BW2 | COD | 1511333 | I4/mcm (140) | ✔ | 6 | 118 | 3 | 0.0 | 0.000 | 0.564 | (1;000) | ✗ | 11/04/17 |
| ScCo2 | COD | 1524430 | Fd-3m (227) | ✔ | 6 | 90 | 3 | 0.0 | 0.000 | 0.416 | (0;000) | ✗ | 27/01/17 |
| Co2Si | COD | 9009209 | Pnma (62) | ✔ | 12 | 152 | 3 | 0.0 | 0.009 | 0.188 | (0;000) | ✗ | 27/01/17 |
| Tl2CO3 | COD | 2017545 | C2/m (12) | ✔ | 12 | 96 | 2 | 1.4491 | 2.153 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Ca2GePd2 | COD | 4002144 | Fdd2 (43) | ✗ | 10 | 120 | 3 | 0.0 | 0.051 | 0.309 | (0;000) | ✔ | 11/04/17 |
| TiCo2 | COD | 1525441 | Fd-3m (227) | ✔ | 6 | 92 | 3 | 0.0 | 0.006 | 0.625 | (0;000) | ✗ | 27/01/17 |
| ZrCo2Sn | COD | 1524615 | Fm-3m (225) | ✔ | 4 | 52 | 3 | 0.0 | 0.006 | 0.635 | (0;000) | ✗ | 27/01/17 |
| CaWO4 | COD | 9009628 | I4_1/a (88) | ✔ | 12 | 124 | 1 | 3.949 | 3.949 | 0.000 | (0;000) | ✗ | 11/04/17 |
| CdWO4 | COD | 9013915 | P2/c (13) | ✔ | 12 | 128 | 3 | 3.1821 | 3.229 | 0.000 | (0;000) | ✗ | 11/04/17 |
| TaCo2 | COD | 1525074 | Fd-3m (227) | ✔ | 6 | 94 | 3 | 0.0 | 0.000 | 0.552 | (0;000) | ✗ | 27/01/17 |
| TaCo3 | COD | 1525075 | Pm-3m (221) | ✔ | 4 | 64 | 3 | 0.0 | 0.000 | 0.599 | (1;000) | ✗ | 27/01/17 |
| Co3Mo | COD | 2310283 | P6_3/mmc (194) | ✔ | 8 | 130 | 3 | 0.0 | 0.000 | 0.696 | (0;000) | ✗ | 27/01/17 |
| Co3O4 | COD | 9005896 | Fd-3m (227) | ✔ | 14 | 150 | 3 | 0.0 | 0.000 | 0.106 | (0;000) | ✗ | 27/01/17 |
| C | COD | 9014004 | P6/mmm (191) | ✔ | 10 | 40 | 3 | 0.5198 | 1.862 | 0.000 | (0;000) | ✗ | 27/01/17 |
| C | COD | 9012233 | Pcca (54) | ✔ | 16 | 64 | 2 | 0.0 | 0.002 | 0.513 | (1;001) | ✗ | 27/01/17 |
| WSCl4 | COD | 1527305 | P-1 (2) | ✔ | 12 | 124 | 1 | 0.0 | 0.048 | 0.072 | (1;111) | ✗ | 11/04/17 |
| ZnCO6 | COD | 5910061 | R-3m (166) | ✔ | 8 | 52 | 3 | 0.0 | 0.006 | 0.388 | (1;111) | ✗ | 27/01/17 |
| ZnCO3 | COD | 9000099 | R-3c (167) | ✔ | 10 | 68 | 3 | 3.7274 | 4.675 | 0.000 | (0;000) | ✗ | 27/01/17 |
| YCo5 | COD | 1528221 | P6/mmm (191) | ✔ | 6 | 96 | 3 | 0.0 | 0.005 | 0.817 | (0;000) | ✗ | 27/01/17 |
| NaClO3 | COD | 1010485 | P2_13 (198) | ✗ | 20 | 136 | 1 | 0.0 | 0.000 | 0.122 | (1;000) | ✔ | 11/04/17 |
| C | COD | 9012231 | Cmme (67) | ✔ | 8 | 32 | 2 | 0.0 | 0.009 | 0.643 | (0;001) | ✗ | 27/01/17 |
| C | COD | 1512497 | P6_3/mmc (194) | ✔ | 4 | 16 | 2 | 0.0 | 0.000 | 0.043 | (0;000) | ✗ | 27/01/17 |
| CS2 | COD | 9014813 | P4_12_12 (92) | ✗ | 12 | 64 | 3 | 0.2875 | 0.641 | 0.000 | (0;000) | ✔ | 11/04/17 |
| C | COD | 4105684 | I4/mmm (139) | ✔ | 1 | 4 | 1 | 0.0 | 0.006 | 0.323 | (0;000) | ✗ | 27/01/17 |
| CsIn3 | COD | 1524224 | I-4m2 (119) | ✗ | 12 | 144 | 3 | 0.0 | 0.239 | 0.019 | (0;000) | ✔ | 11/04/17 |
| C | COD | 9012592 | P6_3/mmc (194) | ✔ | 16 | 64 | 3 | 4.3691 | 5.374 | 0.000 | (0;000) | ✗ | 27/01/17 |