▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▴ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
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 |
V5As3C | ICSD | 609885 | P6_3/mcm (193) | ✔ | 18 | 168 | 3 | 0.0 | 0.001 | 0.842 | (1;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 |
CaZrS3 | ICSD | 23286 | Pnma (62) | ✔ | 20 | 128 | 3 | 1.0094 | 1.009 | 0.000 | (0;000) | ✗ | 02/02/17 |
CaSi3 | ICSD | 263004 | I4/mmm (139) | ✔ | 16 | 88 | 1 | 0.0 | 0.003 | 0.736 | (0;111) | ✗ | 02/02/17 |
SrCaSi | COD | 1528697 | Pnma (62) | ✔ | 12 | 96 | 1 | 0.4161 | 0.434 | 0.000 | (0;000) | ✗ | 02/02/17 |
SrCaSn | COD | 1528699 | Pnma (62) | ✔ | 12 | 136 | 1 | 0.2503 | 0.255 | 0.000 | (0;000) | ✗ | 02/02/17 |
CaZn2 | ICSD | 418878 | P6_3/mmc (194) | ✔ | 12 | 136 | 3 | 0.0 | 0.009 | 0.605 | (0;000) | ✗ | 02/02/17 |
BaCSNCl | ICSD | 94400 | P2_1/m (11) | ✔ | 10 | 64 | 1 | 4.1497 | 4.249 | 0.000 | (0;000) | ✗ | 02/02/17 |
BaMnCO3F2 | COD | 1100121 | P6_3/m (176) | ✔ | 16 | 122 | 2 | 0.0 | 0.000 | 0.877 | (0;000) | ✗ | 02/02/17 |
BaZnCO3F2 | COD | 1100122 | P6_3/m (176) | ✔ | 16 | 116 | 2 | 5.0322 | 5.038 | 0.000 | (0;000) | ✗ | 02/02/17 |
BaCO3 | COD | 1011149 | Pnma (62) | ✔ | 20 | 128 | 2 | 4.4216 | 4.463 | 0.000 | (0;000) | ✗ | 02/02/17 |
BaCO3 | COD | 9006846 | Pnma (62) | ✔ | 20 | 128 | 1 | 4.2133 | 4.219 | 0.000 | (0;000) | ✗ | 02/02/17 |
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 |
KCBr(NO2)2 | ICSD | 42826 | P-1 (2) | ✔ | 18 | 108 | 1 | 1.9756 | 2.042 | 0.000 | (0;000) | ✗ | 02/02/17 |
CaCO3 | ICSD | 186772 | P-1 (2) | ✔ | 20 | 128 | 1 | 3.6119 | 3.614 | 0.000 | (0;000) | ✗ | 02/02/17 |
CaCO3 | COD | 2106394 | P2_1/c (14) | ✔ | 20 | 128 | 1 | 4.9865 | 5.058 | 0.000 | (0;000) | ✗ | 02/02/17 |
CaCO3 | COD | 9016547 | Pnma (62) | ✔ | 20 | 128 | 1 | 4.3434 | 4.687 | 0.000 | (0;000) | ✗ | 02/02/17 |
CaCO3 | COD | 9016600 | Pnma (62) | ✔ | 20 | 128 | 1 | 3.8664 | 3.866 | 0.000 | (0;000) | ✗ | 02/02/17 |
PtCCl2O | COD | 2102529 | P4_2/m (84) | ✔ | 20 | 136 | 2 | 1.4271 | 1.435 | 0.000 | (0;000) | ✗ | 02/02/17 |
CSCl2O | COD | 7050458 | P2_1/c (14) | ✔ | 20 | 120 | 1 | 3.0161 | 3.088 | 0.000 | (0;000) | ✗ | 02/02/17 |
CSCl2 | ICSD | 300291 | P2_1/c (14) | ✔ | 16 | 96 | 1 | 2.8885 | 2.901 | 0.000 | (0;000) | ✗ | 02/02/17 |
SiC(ClF)3 | ICSD | 173735 | C2/m (12) | ✔ | 16 | 100 | 1 | 6.2495 | 6.314 | 0.000 | (0;000) | ✗ | 02/02/17 |
HgCSNCl | ICSD | 409579 | Pnma (62) | ✔ | 20 | 136 | 3 | 2.6253 | 2.625 | 0.000 | (0;000) | ✗ | 02/02/17 |
CNCl | ICSD | 86484 | C2/c (15) | ✔ | 18 | 96 | 1 | 3.7201 | 3.910 | 0.000 | (0;000) | ✗ | 02/02/17 |
PbCSNCl | ICSD | 409835 | Pnma (62) | ✔ | 20 | 144 | 2 | 2.4437 | 2.444 | 0.000 | (0;000) | ✗ | 02/02/17 |
CsC | ICSD | 51534 | Pnma (62) | ✔ | 16 | 104 | 1 | 2.8353 | 2.840 | 0.000 | (0;000) | ✗ | 02/02/17 |
CsCSN | ICSD | 60871 | Pnma (62) | ✔ | 16 | 96 | 1 | 4.4093 | 4.410 | 0.000 | (0;000) | ✗ | 02/02/17 |