▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
CaSi3Pt | ICSD | 181448 | I4mm (107) | ✗ | 5 | 32 | 3 | 0.0 | 0.013 | 0.420 | ? | ✗ | 15/02/17 |
CaSi3Pt | ICSD | 180963 | I4mm (107) | ✗ | 5 | 32 | 3 | 0.0 | 0.023 | 0.403 | (0;111) | ✔ | 07/10/16 |
CaSi7Ir3 | ICSD | 181449 | R-3c (167) | ✔ | 22 | 178 | 3 | 0.0 | 0.000 | 0.794 | (0;000) | ✗ | 07/08/17 |
Ca(SiAu)2 | COD | 7209403 | I4/mmm (139) | ✔ | 5 | 40 | 3 | 0.0 | 0.028 | 0.718 | (1;000) | ✗ | 05/01/17 |
Ca(SiCu)2 | ICSD | 619238 | I4/mmm (139) | ✔ | 5 | 40 | 3 | 0.0 | 0.025 | 0.779 | (0;000) | ✗ | 27/01/17 |
CaSiF6 | ICSD | 183914 | R-3 (148) | ✔ | 8 | 56 | 1 | 7.7957 | 7.796 | 0.000 | (0;000) | ✗ | 27/01/17 |
CaSiNi2 | ICSD | 412411 | P6_3/mmc (194) | ✔ | 8 | 68 | 3 | 0.0 | 0.006 | 0.599 | (1;000) | ✗ | 27/01/17 |
Ca(SiNi)2 | COD | 1521052 | I4/mmm (139) | ✔ | 5 | 38 | 3 | 0.0 | 0.011 | 0.695 | (0;111) | ✗ | 27/01/17 |
CaSiO3 | ICSD | 240411 | Pm-3m (221) | ✔ | 5 | 32 | 3 | 5.0875 | 6.198 | 0.000 | (0;000) | ✗ | 27/01/17 |
CaSiPd | ICSD | 69790 | P2_1/c (14) | ✔ | 12 | 128 | 3 | 0.0 | 0.014 | 0.135 | (1;000) | ✗ | 02/02/17 |
Ca(SiPd)2 | ICSD | 619506 | I4/mmm (139) | ✔ | 5 | 54 | 3 | 0.0 | 0.020 | 0.673 | (0;000) | ✗ | 27/01/17 |
CaSiPt | ICSD | 72640 | P2_13 (198) | ✗ | 12 | 96 | 3 | 0.0 | 0.000 | 0.533 | (0;000) | ✔ | 05/12/16 |
CaSiPt | ICSD | 72641 | P2_1/c (14) | ✔ | 12 | 96 | 3 | 0.0 | 0.128 | 0.101 | (1;000) | ✗ | 02/02/17 |
CaSiPt | ICSD | 63555 | P2_13 (198) | ✗ | 12 | 96 | 3 | 0.0 | 0.000 | 0.533 | ? | ✗ | 22/03/17 |
CaSiPt | ICSD | 72642 | Pnma (62) | ✔ | 12 | 96 | 3 | 0.0 | 0.046 | 0.529 | (1;000) | ✗ | 02/02/17 |
Ca(SiRh)2 | ICSD | 425469 | I4/mmm (139) | ✔ | 5 | 52 | 3 | 0.0 | 0.036 | 0.611 | (1;111) | ✗ | 27/01/17 |
CaSiSnO5 | COD | 9006655 | C2/c (15) | ✔ | 16 | 116 | 3 | 3.6012 | 3.668 | 0.000 | (0;000) | ✗ | 27/01/17 |
CaSn | ICSD | 165193 | Cmcm (63) | ✔ | 4 | 48 | 1 | 0.0 | 0.065 | 0.315 | (0;110) | ✗ | 06/10/16 |
CaSn | ICSD | 55220 | Ccmm (63) | ✔ | 4 | 48 | 3 | 0.0 | 0.013 | 0.316 | (1;000) | ✗ | 06/10/16 |
CaSn2F6 | COD | 1526708 | P-1 (2) | ✔ | 18 | 160 | 1 | 3.5254 | 3.609 | 0.000 | (0;000) | ✗ | 02/02/17 |
CaSn2Ir | ICSD | 410773 | Cmcm (63) | ✔ | 8 | 110 | 3 | 0.0 | 0.000 | 0.845 | (0;110) | ✗ | 27/01/17 |
CaSn2Pd | ICSD | 410774 | Cmcm (63) | ✔ | 8 | 112 | 3 | 0.0 | 0.021 | 0.449 | (0;110) | ✗ | 27/01/17 |
CaSn2Rh | ICSD | 410775 | Cmcm (63) | ✔ | 8 | 110 | 3 | 0.0 | 0.000 | 0.887 | (0;000) | ✗ | 27/01/17 |
CaSn3 | COD | 5910066 | Pm-3m (221) | ✔ | 4 | 52 | 3 | 0.0 | 0.005 | 0.323 | (0;111) | ✗ | 27/01/17 |
CaSnAu | COD | 2019618 | Imm2 (44) | ✗ | 6 | 70 | 3 | 0.0 | 0.035 | 0.553 | ? | ✗ | 15/02/17 |
CaSn(BO3)2 | COD | 9009324 | R-3 (148) | ✔ | 10 | 66 | 2 | 4.1999 | 4.540 | 0.000 | (0;000) | ✗ | 05/01/17 |
CaSnF6 | ICSD | 35713 | Fm-3m (225) | ✔ | 8 | 66 | 1 | 6.1583 | 6.158 | 0.000 | (0;000) | ✗ | 27/01/17 |
CaSnHg | ICSD | 602726 | P6_3mc (186) | ✗ | 6 | 72 | 3 | 0.0 | 0.049 | 0.221 | (0;000) | ✔ | 28/10/16 |
CaSnHg | ICSD | 659596 | P6_3/mmc (194) | ✔ | 6 | 72 | 2 | 0.0 | 0.006 | 0.346 | (1;000) | ✗ | 27/01/17 |
CaSnO3 | ICSD | 27777 | Pm-3m (221) | ✔ | 5 | 42 | 3 | 0.0 | 0.000 | 0.845 | (1;111) | ✗ | 27/01/17 |
CaSnO3 | ICSD | 56095 | Pm-3m (221) | ✔ | 5 | 42 | 3 | 2.8282 | 3.851 | 0.000 | (0;000) | ✗ | 27/01/17 |
CaSnO3 | COD | 1004022 | R-3 (148) | ✔ | 10 | 84 | 1 | 3.4424 | 3.721 | 0.000 | (0;000) | ✗ | 27/01/17 |
CaSnO3 | COD | 9015651 | Pnma (62) | ✔ | 20 | 168 | 3 | 2.7125 | 2.829 | 0.000 | (0;000) | ✗ | 02/02/17 |
CaSnPd | ICSD | 58690 | Pnma (62) | ✔ | 12 | 168 | 3 | 0.0 | 0.015 | 0.409 | (1;000) | ✗ | 02/02/17 |
CaSnPt | ICSD | 602355 | Pnma (62) | ✔ | 12 | 136 | 3 | 0.0 | 0.022 | 0.419 | (1;000) | ✗ | 02/02/17 |
CaSO4 | COD | 9012207 | C222 (21) | ✗ | 18 | 120 | 1 | 5.7747 | 5.775 | 0.000 | (0;000) | ✗ | 22/03/17 |
CaSO4 | COD | 5000040 | Cmcm (63) | ✔ | 12 | 80 | 1 | 6.2076 | 6.694 | 0.000 | (0;000) | ✗ | 27/01/17 |
CaSO4 | COD | 9003569 | Pnma (62) | ✔ | 24 | 160 | 1 | 6.7502 | 6.838 | 0.000 | (0;000) | ✗ | 04/08/17 |
CaSO4 | COD | 9003568 | P2_1/c (14) | ✔ | 24 | 160 | 1 | 6.4075 | 6.633 | 0.000 | (0;000) | ✗ | 04/08/17 |
CaSO6 | COD | 9015350 | C2/c (15) | ✔ | 16 | 104 | 1 | 0.0 | 0.006 | 0.453 | (0;000) | ✗ | 02/02/17 |
CaTa2Bi2O9 | ICSD | 20667 | I4/mmm (139) | ✔ | 14 | 120 | 3 | 0.0 | 0.000 | 0.338 | (0;000) | ✗ | 21/03/17 |
CaTaAlO5 | ICSD | 50718 | C2/c (15) | ✔ | 16 | 112 | 3 | 3.8797 | 3.978 | 0.000 | (0;000) | ✗ | 30/01/17 |
CaTcO3 | COD | 4105648 | Pnma (62) | ✔ | 20 | 172 | 0 | 0.0 | 0.000 | 0.313 | (0;110) | ✗ | 02/02/17 |
CaTe | ICSD | 52792 | Pm-3m (221) | ✔ | 2 | 16 | 3 | 0.0 | 0.005 | 0.125 | (1;000) | ✗ | 27/01/17 |
CaTe | ICSD | 41959 | Pnma (62) | ✔ | 8 | 64 | 3 | 0.0 | 0.022 | 0.119 | (0;000) | ✗ | 27/01/17 |
CaTe | COD | 9008608 | Fm-3m (225) | ✔ | 2 | 16 | 1 | 1.1904 | 2.349 | 0.000 | (0;000) | ✗ | 27/01/17 |
CaTe3O8 | COD | 9000671 | C2/c (15) | ✔ | 24 | 152 | 3 | 2.4307 | 2.514 | 0.000 | (0;000) | ✗ | 04/08/17 |
CaTeO4 | ICSD | 8097 | Pbcn (60) | ✔ | 24 | 160 | 1 | 2.2643 | 2.264 | 0.000 | (0;000) | ✗ | 04/08/17 |
CaTi2O4 | COD | 1008077 | Cmcm (63) | ✔ | 14 | 116 | 3 | 0.0 | 0.009 | 0.095 | (0;000) | ✗ | 22/03/17 |
CaTi4(FeO4)3 | COD | 9006334 | Im3 (204) | ✔ | 20 | 154 | 3 | 0.0639 | 0.072 | 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 |
CaTiF6 | COD | 1533036 | R-3m (166) | ✔ | 8 | 64 | 3 | 3.9477 | 3.948 | 0.000 | (0;000) | ✗ | 27/01/17 |
CaTiO3 | ICSD | 162922 | I4/mcm (140) | ✔ | 10 | 80 | 3 | 2.0423 | 2.048 | 0.000 | (0;000) | ✗ | 27/01/17 |
CaTiO3 | COD | 1011211 | Pm-3m (221) | ✔ | 5 | 40 | 3 | 2.033 | 2.432 | 0.000 | (0;000) | ✗ | 27/01/17 |
CaTiO3 | COD | 2310618 | Pnma (62) | ✔ | 20 | 160 | 3 | 2.2046 | 2.205 | 0.000 | (0;000) | ✗ | 02/02/17 |
CaTiSiO5 | COD | 9001794 | C2/c (15) | ✔ | 16 | 112 | 3 | 3.2315 | 3.237 | 0.000 | (0;000) | ✗ | 22/03/17 |
CaTiSiO5 | COD | 1011220 | C2/c (15) | ✔ | 16 | 112 | 3 | 3.1981 | 3.228 | 0.000 | (0;000) | ✗ | 27/01/17 |
CaTl2O4 | COD | 1000379 | Cmcm (63) | ✔ | 14 | 120 | 3 | 0.0168 | 0.077 | 0.000 | (0;000) | ✗ | 27/01/17 |
CaV2O5 | ICSD | 82689 | Pmmn (59) | ✔ | 16 | 132 | 2 | 0.0 | 0.028 | 0.223 | (0;000) | ✗ | 02/02/17 |
CaV2O6 | ICSD | 21064 | C2/m (12) | ✔ | 9 | 72 | 1 | 2.8183 | 2.818 | 0.000 | (0;000) | ✗ | 04/08/17 |
CaV4(PdO4)3 | ICSD | 237495 | Im3 (204) | ✔ | 20 | 188 | 3 | 0.0 | 0.000 | 0.826 | (0;111) | ✗ | 02/02/17 |
CaVO3 | COD | 4336390 | Pnma (62) | ✔ | 20 | 164 | 3 | 0.0 | 0.001 | 0.649 | (0;110) | ✗ | 02/02/17 |
CaW | ICSD | 28952 | I4_1/amd (141) | ✔ | 4 | 48 | 1 | 0.0 | 0.019 | 0.278 | (1;111) | ✗ | 27/01/17 |
CaWO4 | COD | 9009628 | I4_1/a (88) | ✔ | 12 | 124 | 1 | 3.949 | 3.949 | 0.000 | (0;000) | ✗ | 11/04/17 |
CaWO4 | ICSD | 193048 | C2/c (15) | ✔ | 12 | 124 | 3 | 3.8738 | 3.874 | 0.000 | (0;000) | ✗ | 11/04/17 |
CaZn | ICSD | 184361 | Cmcm (63) | ✔ | 4 | 44 | 1 | 0.0 | 0.012 | 0.543 | (1;110) | ✗ | 27/01/17 |
CaZn | ICSD | 58944 | Ccmm (63) | ✔ | 4 | 44 | 1 | 0.0 | 0.019 | 0.538 | (0;110) | ✗ | 06/10/16 |
CaZn2 | ICSD | 418971 | Imma (74) | ✔ | 6 | 68 | 3 | 0.0 | 0.009 | 0.557 | (0;111) | ✗ | 27/01/17 |
CaZn2 | ICSD | 418878 | P6_3/mmc (194) | ✔ | 12 | 136 | 3 | 0.0 | 0.009 | 0.605 | (0;000) | ✗ | 02/02/17 |
CaZn2(PO)2 | ICSD | 29256 | P-3m1 (164) | ✔ | 7 | 56 | 1 | 0.0 | 0.019 | 0.172 | (0;001) | ✗ | 27/01/17 |
CaZn3Ni2 | ICSD | 245512 | P6/mmm (191) | ✔ | 18 | 198 | 3 | 0.0 | 0.001 | 0.950 | (1;001) | ✗ | 02/02/17 |
CaZn3Se4 | ICSD | 167831 | P-43m (215) | ✗ | 8 | 70 | 3 | 1.2442 | 1.244 | 0.000 | (0;000) | ✗ | 06/10/16 |
CaZn5 | ICSD | 418614 | P6/mmm (191) | ✔ | 6 | 70 | 3 | 0.0 | 0.000 | 0.680 | (1;000) | ✗ | 27/01/17 |
Ca(ZnAs)2 | COD | 7221219 | P-3m1 (164) | ✔ | 5 | 44 | 2 | 0.3342 | 0.334 | 0.000 | (0;000) | ✗ | 05/01/17 |
CaZnF4 | COD | 1529060 | I4_1/a (88) | ✔ | 12 | 100 | 1 | 5.3128 | 5.313 | 0.000 | (0;000) | ✗ | 27/01/17 |
CaZnGe | ICSD | 52772 | P6_3/mmc (194) | ✔ | 6 | 52 | 2 | 0.0 | 0.183 | 0.172 | (0;000) | ✗ | 27/01/17 |
Ca(ZnGe)2 | ICSD | 25319 | I4/mmm (139) | ✔ | 5 | 42 | 3 | 0.0 | 0.031 | 0.386 | (1;111) | ✗ | 27/01/17 |
CaZn(GeO3)2 | COD | 2014615 | C2/c (15) | ✔ | 20 | 132 | 3 | 2.8081 | 2.912 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ca(ZnP)2 | COD | 7221217 | P-3m1 (164) | ✔ | 5 | 44 | 2 | 0.8628 | 0.990 | 0.000 | (0;000) | ✗ | 27/01/17 |
CaZnPb | ICSD | 659603 | P6_3/mmc (194) | ✔ | 6 | 72 | 2 | 0.0 | 0.045 | 0.343 | (1;000) | ✗ | 27/01/17 |
Ca(ZnSb)2 | COD | 7221359 | P-3m1 (164) | ✔ | 5 | 44 | 2 | 0.0 | 0.025 | 0.103 | (0;000) | ✗ | 27/01/17 |
CaZnSe2 | ICSD | 167832 | P-4m2 (115) | ✗ | 4 | 34 | 2 | 1.3984 | 1.570 | 0.000 | (0;000) | ✗ | 07/10/16 |
CaZnSi | ICSD | 52791 | P6_3/mmc (194) | ✔ | 6 | 52 | 2 | 0.0 | 0.382 | 0.187 | (0;000) | ✗ | 27/01/17 |
Ca(ZnSi)2 | ICSD | 59649 | I4/mmm (139) | ✔ | 5 | 42 | 3 | 0.0 | 0.007 | 0.413 | (0;000) | ✗ | 27/01/17 |
CaZnSiH2O5 | ICSD | 200432 | Cc (9) | ✗ | 20 | 116 | 2 | 3.6898 | 3.739 | 0.000 | (0;000) | ✗ | 21/03/17 |
CaZn(SiO3)2 | COD | 2014614 | C2/c (15) | ✔ | 20 | 132 | 3 | 4.3367 | 4.435 | 0.000 | (0;000) | ✗ | 02/02/17 |
CaZnSn | ICSD | 106358 | P6_3mc (186) | ✗ | 6 | 72 | 3 | 0.0 | 0.030 | 0.241 | (0;000) | ✔ | 06/10/16 |
CaZnSO | ICSD | 245309 | P6_3mc (186) | ✗ | 8 | 68 | 1 | 2.7339 | 2.734 | 0.000 | (0;000) | ✗ | 15/02/17 |
CaZrGeO5 | ICSD | 154327 | P-1 (2) | ✔ | 16 | 96 | 3 | 3.5272 | 3.527 | 0.000 | (0;000) | ✗ | 02/02/17 |
CaZrO3 | COD | 1532747 | Pnma (62) | ✔ | 20 | 128 | 3 | 3.4975 | 3.498 | 0.000 | (0;000) | ✗ | 02/02/17 |
CaZrO3 | COD | 5910140 | Pm-3m (221) | ✔ | 5 | 32 | 3 | 2.8438 | 2.844 | 0.000 | (0;000) | ✗ | 27/01/17 |
CaZrS3 | ICSD | 23286 | Pnma (62) | ✔ | 20 | 128 | 3 | 1.0094 | 1.009 | 0.000 | (0;000) | ✗ | 02/02/17 |
CaZrSi2O7 | COD | 9004208 | C2 (5) | ✗ | 11 | 64 | 3 | 4.5504 | 4.594 | 0.000 | (0;000) | ✗ | 15/02/17 |
CBr3F | ICSD | 72370 | Pnma (62) | ✔ | 20 | 128 | 1 | 3.4942 | 3.524 | 0.000 | (0;000) | ✗ | 02/02/17 |
CBrF2 | COD | 7200672 | P2_1/c (14) | ✔ | 16 | 100 | 1 | 4.3722 | 4.447 | 0.000 | (0;000) | ✗ | 02/02/17 |
CBrN | ICSD | 31694 | Pmmn (59) | ✔ | 6 | 32 | 1 | 4.971 | 5.037 | 0.000 | (0;000) | ✗ | 27/01/17 |
C(ClF)2 | ICSD | 33946 | F2dd (43) | ✗ | 10 | 64 | 1 | 5.5318 | 5.537 | 0.000 | (0;000) | ✗ | 06/10/16 |
C(ClF)2 | ICSD | 33947 | F2dd (43) | ✗ | 10 | 64 | 1 | 5.63 | 5.635 | 0.000 | (0;000) | ✗ | 06/10/16 |
C(ClF)2 | ICSD | 33948 | F2dd (43) | ✗ | 10 | 64 | 1 | 5.7375 | 5.742 | 0.000 | (0;000) | ✗ | 06/10/16 |
CClF3 | ICSD | 49696 | Ccm2_1 (36) | ✗ | 10 | 64 | 1 | 6.6335 | 6.643 | 0.000 | (0;000) | ✗ | 06/10/16 |