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| ▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▴ updated |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| LiCaCrF6 | ICSD | 73985 | P-31c (163) | ✔ | 18 | 138 | 2 | 0.0 | 0.000 | 0.574 | (0;000) | ✗ | 02/02/17 |
| CaCrO3 | ICSD | 245840 | Pnma (62) | ✔ | 20 | 168 | 3 | 0.0 | 0.003 | 0.479 | (0;000) | ✗ | 02/02/17 |
| CsCaH3 | ICSD | 619212 | Pnma (62) | ✔ | 20 | 88 | 1 | 1.3396 | 1.504 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CsCaH3 | ICSD | 619213 | Pnma (62) | ✔ | 20 | 88 | 1 | 2.0624 | 2.062 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Ca(Cu2P)2 | ICSD | 62553 | P4_2/mnm (136) | ✔ | 14 | 128 | 3 | 0.0 | 0.021 | 0.267 | (1;000) | ✗ | 02/02/17 |
| CaCu(GeO3)2 | COD | 2100257 | C2/c (15) | ✔ | 20 | 130 | 3 | 0.0 | 0.000 | 0.281 | (0;010) | ✗ | 02/02/17 |
| CaCu | ICSD | 619217 | P2_1/m (11) | ✔ | 20 | 210 | 3 | 0.0 | 0.000 | 0.916 | (1;000) | ✗ | 02/02/17 |
| CaF2 | COD | 9007069 | Fm-3m (225) | ✔ | 3 | 24 | 1 | 7.9254 | 8.174 | 0.000 | (0;000) | ✗ | 02/02/17 |
| KCaF3 | ICSD | 181643 | Pnma (62) | ✔ | 20 | 160 | 1 | 6.8806 | 6.902 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CaTiF5 | ICSD | 49529 | C2/c (15) | ✔ | 14 | 114 | 1 | 0.0 | 0.000 | 0.903 | (1;101) | ✗ | 02/02/17 |
| LiCaGaF6 | ICSD | 152300 | P-31c (163) | ✔ | 18 | 136 | 2 | 5.5593 | 5.621 | 0.000 | (0;000) | ✗ | 02/02/17 |
| LiCaNiF6 | ICSD | 32732 | P-31c (163) | ✔ | 18 | 130 | 1 | 0.0 | 0.000 | 0.767 | (0;000) | ✗ | 02/02/17 |
| CaSn2F6 | COD | 1526708 | P-1 (2) | ✔ | 18 | 160 | 1 | 3.5254 | 3.609 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CaTi4(FeO4)3 | COD | 9006334 | Im3 (204) | ✔ | 20 | 154 | 3 | 0.0639 | 0.072 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Ca(FeSb3)4 | ICSD | 248622 | Im3 (204) | ✔ | 17 | 102 | 3 | 0.0 | 0.010 | 0.669 | (0;000) | ✗ | 02/02/17 |
| CaFe(GeO3)2 | ICSD | 290257 | C2/c (15) | ✔ | 20 | 124 | 3 | 0.5341 | 0.535 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CaFeO3 | COD | 1526751 | Pnma (62) | ✔ | 20 | 144 | 3 | 0.0 | 0.001 | 0.551 | (0;000) | ✗ | 02/02/17 |
| CaFe(SiO3)2 | COD | 9001813 | C2/c (15) | ✔ | 20 | 124 | 3 | 0.742 | 0.746 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Ag2CN2 | ICSD | 411091 | P2_1/c (14) | ✔ | 20 | 144 | 3 | 1.1872 | 1.187 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Ca(GaP)2 | ICSD | 422525 | P6_3/mmc (194) | ✔ | 10 | 92 | 2 | 0.2119 | 0.872 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Ca(GaS2)2 | ICSD | 619292 | Cccm (66) | ✔ | 14 | 120 | 1 | 2.6848 | 2.831 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CaGaGe | ICSD | 166384 | P6_3/mmc (194) | ✔ | 12 | 108 | 1 | 0.0 | 0.046 | 0.444 | (0;000) | ✗ | 02/02/17 |
| LiCaGaN2 | ICSD | 415411 | P2_1/c (14) | ✔ | 20 | 144 | 1 | 2.2368 | 2.237 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CaGaPt | COD | 1527281 | Pnma (62) | ✔ | 12 | 132 | 3 | 0.0 | 0.010 | 0.817 | (0;011) | ✗ | 02/02/17 |
| CaGaSn | ICSD | 619297 | P6_3/mmc (194) | ✔ | 12 | 148 | 1 | 0.0 | 0.026 | 0.626 | (1;000) | ✗ | 02/02/17 |
| LiCaGe2 | ICSD | 25328 | Pnma (62) | ✔ | 16 | 84 | 1 | 0.0 | 0.001 | 0.779 | (0;011) | ✗ | 02/02/17 |
| CaZn(GeO3)2 | COD | 2014615 | C2/c (15) | ✔ | 20 | 132 | 3 | 2.8081 | 2.912 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CaGe2Pt | ICSD | 600498 | Immm (71) | ✔ | 16 | 112 | 3 | 0.0 | 0.022 | 0.840 | (0;000) | ✗ | 02/02/17 |
| CaGe3 | ICSD | 262736 | I4/mmm (139) | ✔ | 16 | 88 | 1 | 0.0 | 0.007 | 0.607 | (0;111) | ✗ | 02/02/17 |
| CaMgGe | ICSD | 42456 | Pnma (62) | ✔ | 12 | 96 | 1 | 0.0 | 0.026 | 0.051 | (0;000) | ✗ | 02/02/17 |
| CaGeO3 | COD | 9000904 | Pnma (62) | ✔ | 20 | 128 | 3 | 2.1712 | 2.229 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CaZrGeO5 | ICSD | 154327 | P-1 (2) | ✔ | 16 | 96 | 3 | 3.5272 | 3.527 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CaGePt | COD | 1527356 | Pnma (62) | ✔ | 12 | 96 | 3 | 0.0 | 0.054 | 0.521 | (1;000) | ✗ | 02/02/17 |
| SrCaGe | COD | 1528698 | Pnma (62) | ✔ | 12 | 96 | 1 | 0.414 | 0.433 | 0.000 | (0;000) | ✗ | 02/02/17 |
| AgCS(OF)3 | ICSD | 183643 | R-3 (148) | ✔ | 18 | 120 | 2 | 2.8132 | 3.334 | 0.000 | (0;000) | ✗ | 02/02/17 |
| AgCSN | ICSD | 201359 | Pnnm (58) | ✔ | 16 | 104 | 3 | 2.3726 | 2.373 | 0.000 | (0;000) | ✗ | 02/02/17 |
| AgCSN | COD | 8100412 | C2/c (15) | ✔ | 16 | 104 | 3 | 2.0827 | 2.362 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CaHfS3 | ICSD | 619354 | Pnma (62) | ✔ | 20 | 160 | 3 | 1.4127 | 1.413 | 0.000 | (0;000) | ✗ | 02/02/17 |
| K3CaP2HO8 | ICSD | 35344 | C2/m (12) | ✔ | 15 | 96 | 1 | 5.1444 | 5.144 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Ca(InP)2 | COD | 2017323 | P6_3/mmc (194) | ✔ | 10 | 92 | 2 | 0.5469 | 0.684 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Ca(InS2)2 | COD | 9012322 | Fd-3m (227) | ✔ | 14 | 120 | 3 | 2.2045 | 2.205 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CaIn4Ir | ICSD | 410892 | Pmma (51) | ✔ | 12 | 158 | 3 | 0.0 | 0.000 | 0.848 | (1;100) | ✗ | 02/02/17 |
| CaIn4Ni | COD | 1528112 | Cmcm (63) | ✔ | 12 | 144 | 3 | 0.0 | 0.004 | 0.793 | (1;110) | ✗ | 02/02/17 |
| CaIn4Pd | ICSD | 410890 | Cmcm (63) | ✔ | 12 | 160 | 3 | 0.0 | 0.010 | 0.814 | (1;110) | ✗ | 02/02/17 |
| CaIn4Rh | ICSD | 410891 | Pmma (51) | ✔ | 12 | 158 | 3 | 0.0 | 0.000 | 0.863 | (0;100) | ✗ | 02/02/17 |
| CaIn | ICSD | 414231 | I4/mmm (139) | ✔ | 8 | 92 | 1 | 0.0 | 0.000 | 0.494 | (0;111) | ✗ | 02/02/17 |
| CaInPd | ICSD | 58689 | Pnma (62) | ✔ | 12 | 164 | 3 | 0.0 | 0.001 | 0.889 | (0;011) | ✗ | 02/02/17 |
| CaInPt | COD | 1527282 | Pnma (62) | ✔ | 12 | 132 | 3 | 0.0 | 0.000 | 0.828 | (0;011) | ✗ | 02/02/17 |
| CaInRh | ICSD | 410841 | Pnma (62) | ✔ | 12 | 160 | 3 | 0.0 | 0.010 | 0.691 | (1;000) | ✗ | 02/02/17 |
| CaIrO3 | ICSD | 159433 | Pnma (62) | ✔ | 20 | 180 | 3 | 0.0 | 0.001 | 0.166 | (0;110) | ✗ | 02/02/17 |
| Sr2CaIrO6 | ICSD | 79451 | P2_1/c (14) | ✔ | 20 | 166 | 2 | 0.0 | 0.000 | 0.770 | (0;010) | ✗ | 02/02/17 |
| K2Ca(NO2)4 | ICSD | 85505 | C2/m (12) | ✔ | 15 | 96 | 1 | 0.0 | 0.009 | 0.648 | (1;001) | ✗ | 02/02/17 |
| Zr5Al3C | ICSD | 606294 | P6_3/mcm (193) | ✔ | 18 | 66 | 3 | 0.0 | 0.000 | 0.866 | (1;000) | ✗ | 02/02/17 |
| Li2Ca | ICSD | 619389 | P6_3/mmc (194) | ✔ | 12 | 64 | 1 | 0.0 | 0.000 | 0.659 | (1;000) | ✗ | 02/02/17 |
| Li2Ca | COD | 1527864 | P6_3/mmc (194) | ✔ | 12 | 64 | 1 | 0.0 | 0.001 | 0.548 | (1;000) | ✗ | 02/02/17 |
| LiCaSb | ICSD | 52775 | Pnma (62) | ✔ | 12 | 72 | 1 | 0.2069 | 0.231 | 0.000 | (0;000) | ✗ | 02/02/17 |
| LiCaSi2 | ICSD | 25327 | Pnma (62) | ✔ | 16 | 84 | 1 | 0.0 | 0.000 | 0.766 | (0;011) | ✗ | 02/02/17 |
| CaMg2 | COD | 4313238 | P6_3/mmc (194) | ✔ | 12 | 120 | 1 | 0.0 | 0.001 | 0.548 | (1;000) | ✗ | 02/02/17 |
| CaMg(SiO3)2 | COD | 1011057 | C2/c (15) | ✔ | 20 | 128 | 3 | 5.0012 | 5.001 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CaMg(SiO3)2 | COD | 9000335 | C2/c (15) | ✔ | 20 | 128 | 3 | 5.073 | 5.073 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CaMg(SiO3)2 | COD | 9000506 | C2/c (15) | ✔ | 20 | 128 | 3 | 3.7875 | 3.788 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CaMgPb | ICSD | 619403 | Pnma (62) | ✔ | 12 | 136 | 3 | 0.0 | 0.010 | 0.172 | (0;000) | ✗ | 02/02/17 |
| CaMgSi | COD | 4000954 | Pnma (62) | ✔ | 12 | 96 | 3 | 0.0 | 0.012 | 0.072 | (0;000) | ✗ | 02/02/17 |
| CaMgSn | ICSD | 659600 | Pnma (62) | ✔ | 12 | 136 | 3 | 0.0 | 0.007 | 0.147 | (0;000) | ✗ | 02/02/17 |
| CaMn(SiO3)2 | COD | 9000152 | C2/c (15) | ✔ | 20 | 138 | 3 | 0.0 | 0.000 | 0.425 | (1;101) | ✗ | 02/02/17 |
| CaMnSb2 | ICSD | 52705 | Pmmn (59) | ✔ | 8 | 70 | 1 | 0.0 | 0.000 | 0.954 | (0;001) | ✗ | 02/02/17 |
| Ca(Mo3S4)2 | ICSD | 62388 | R-3 (148) | ✔ | 15 | 142 | 3 | 0.0 | 0.041 | 0.702 | (1;000) | ✗ | 02/02/17 |
| CaMoO3 | COD | 1528660 | Pnma (62) | ✔ | 20 | 168 | 3 | 0.0 | 0.016 | 0.488 | (0;000) | ✗ | 02/02/17 |
| CaNbO3 | ICSD | 51202 | Pnma (62) | ✔ | 20 | 164 | 3 | 0.0 | 0.002 | 0.622 | (0;110) | ✗ | 02/02/17 |
| CaZn3Ni2 | ICSD | 245512 | P6/mmm (191) | ✔ | 18 | 198 | 3 | 0.0 | 0.001 | 0.950 | (1;001) | ✗ | 02/02/17 |
| Ca(Ni2Sn)2 | ICSD | 418133 | I4/mcm (140) | ✔ | 14 | 156 | 3 | 0.0 | 0.000 | 0.435 | (1;111) | ✗ | 02/02/17 |
| CaSi2NiO6 | COD | 9001303 | C2/c (15) | ✔ | 20 | 128 | 3 | 0.0 | 0.007 | 0.582 | (1;000) | ✗ | 02/02/17 |
| CaV4(PdO4)3 | ICSD | 237495 | Im3 (204) | ✔ | 20 | 188 | 3 | 0.0 | 0.000 | 0.826 | (0;111) | ✗ | 02/02/17 |
| CaPbO3 | ICSD | 87825 | Pnma (62) | ✔ | 20 | 168 | 3 | 1.0162 | 1.016 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CaRhO3 | ICSD | 164775 | Pnma (62) | ✔ | 20 | 180 | 3 | 0.0 | 0.005 | 0.554 | (0;110) | ✗ | 02/02/17 |
| CaSeO3 | ICSD | 159880 | P2_1/c (14) | ✔ | 20 | 136 | 1 | 4.4343 | 4.590 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CaSnO3 | COD | 9015651 | Pnma (62) | ✔ | 20 | 168 | 3 | 2.7125 | 2.829 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CaTcO3 | COD | 4105648 | Pnma (62) | ✔ | 20 | 172 | 0 | 0.0 | 0.000 | 0.313 | (0;110) | ✗ | 02/02/17 |
| CaTiO3 | COD | 2310618 | Pnma (62) | ✔ | 20 | 160 | 3 | 2.2046 | 2.205 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CaVO3 | COD | 4336390 | Pnma (62) | ✔ | 20 | 164 | 3 | 0.0 | 0.001 | 0.649 | (0;110) | ✗ | 02/02/17 |
| CaZrO3 | COD | 1532747 | Pnma (62) | ✔ | 20 | 128 | 3 | 3.4975 | 3.498 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CaV2O5 | ICSD | 82689 | Pmmn (59) | ✔ | 16 | 132 | 2 | 0.0 | 0.028 | 0.223 | (0;000) | ✗ | 02/02/17 |
| Sr2CaReO6 | ICSD | 182568 | P2_1/c (14) | ✔ | 20 | 162 | 1 | 0.0 | 0.000 | 0.974 | (0;010) | ✗ | 02/02/17 |
| CaZn(SiO3)2 | COD | 2014614 | C2/c (15) | ✔ | 20 | 132 | 3 | 4.3367 | 4.435 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CaSO6 | COD | 9015350 | C2/c (15) | ✔ | 16 | 104 | 1 | 0.0 | 0.006 | 0.453 | (0;000) | ✗ | 02/02/17 |
| Sr2CaTeO6 | ICSD | 414435 | P2_1/c (14) | ✔ | 20 | 144 | 1 | 3.6612 | 3.716 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Sr2CaWO6 | COD | 2104688 | P2_1/c (14) | ✔ | 20 | 160 | 1 | 3.3236 | 3.434 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CaPdPb | ICSD | 602349 | Pnma (62) | ✔ | 12 | 168 | 3 | 0.0 | 0.101 | 0.491 | (1;000) | ✗ | 02/02/17 |
| CaPtPb | ICSD | 602366 | Pnma (62) | ✔ | 12 | 136 | 3 | 0.0 | 0.088 | 0.430 | (1;000) | ✗ | 02/02/17 |
| SrCaPb | COD | 1528700 | Pnma (62) | ✔ | 12 | 136 | 1 | 0.1438 | 0.163 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CaSiPd | ICSD | 69790 | P2_1/c (14) | ✔ | 12 | 128 | 3 | 0.0 | 0.014 | 0.135 | (1;000) | ✗ | 02/02/17 |
| CaSnPd | ICSD | 58690 | Pnma (62) | ✔ | 12 | 168 | 3 | 0.0 | 0.015 | 0.409 | (1;000) | ✗ | 02/02/17 |
| CaPS3 | ICSD | 405192 | P2_1/c (14) | ✔ | 20 | 132 | 1 | 3.1376 | 3.138 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CaPSe3 | ICSD | 412765 | P2_1/c (14) | ✔ | 20 | 132 | 1 | 2.2546 | 2.255 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CaPt2 | ICSD | 619516 | P6_3/mmc (194) | ✔ | 12 | 120 | 3 | 0.0 | 0.004 | 0.431 | (1;000) | ✗ | 02/02/17 |
| CaSbPt | ICSD | 60830 | Pnma (62) | ✔ | 12 | 100 | 3 | 0.0 | 0.004 | 0.775 | (0;011) | ✗ | 02/02/17 |
| CaSiPt | ICSD | 72641 | P2_1/c (14) | ✔ | 12 | 96 | 3 | 0.0 | 0.128 | 0.101 | (1;000) | ✗ | 02/02/17 |
| CaSiPt | ICSD | 72642 | Pnma (62) | ✔ | 12 | 96 | 3 | 0.0 | 0.046 | 0.529 | (1;000) | ✗ | 02/02/17 |
| CaSnPt | ICSD | 602355 | Pnma (62) | ✔ | 12 | 136 | 3 | 0.0 | 0.022 | 0.419 | (1;000) | ✗ | 02/02/17 |
| RbCaSb | ICSD | 409178 | P4/nmm (129) | ✔ | 6 | 48 | 1 | 1.5422 | 1.607 | 0.000 | (0;000) | ✗ | 02/02/17 |