▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▴ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Cs6Fe2O5 | ICSD | 73134 | C2/m (12) | ✔ | 13 | 100 | 3 | 0.0 | 0.017 | 0.390 | (0;000) | ✗ | 02/02/17 |
Cs6GaSb3 | ICSD | 300216 | P2_1/m (11) | ✔ | 20 | 164 | 1 | 0.7326 | 0.805 | 0.000 | (0;000) | ✗ | 02/02/17 |
Cs6Si2NiO8 | COD | 8100892 | P-1 (2) | ✔ | 17 | 120 | 3 | 1.1286 | 1.149 | 0.000 | (0;000) | ✗ | 02/02/17 |
SiO2 | ICSD | 75647 | I-4 (82) | ✗ | 12 | 64 | 3 | 5.8931 | 5.968 | 0.000 | (0;000) | ✗ | 06/10/16 |
LiGaGe | ICSD | 25310 | P6_3mc (186) | ✗ | 6 | 40 | 3 | 0.0 | 0.017 | 0.080 | (0;000) | ✔ | 06/10/16 |
CsCu2I3 | ICSD | 150305 | Cmcm (63) | ✔ | 12 | 104 | 1 | 1.9026 | 1.903 | 0.000 | (0;000) | ✗ | 02/02/17 |
CsSc3(CuTe3)2 | ICSD | 417411 | C2/m (12) | ✔ | 12 | 100 | 3 | 0.0 | 0.319 | 0.067 | (0;000) | ✗ | 02/02/17 |
CsTiCu3Se4 | ICSD | 391259 | P2_1/m (11) | ✔ | 18 | 156 | 2 | 1.2556 | 1.438 | 0.000 | (0;000) | ✗ | 02/02/17 |
CsCu5S3 | COD | 1531554 | Pmma (51) | ✔ | 18 | 164 | 3 | 0.3429 | 0.361 | 0.000 | (0;000) | ✗ | 02/02/17 |
CsCuF4 | ICSD | 35264 | I4/mcm (140) | ✔ | 12 | 96 | 3 | 1.5647 | 1.629 | 0.000 | (0;000) | ✗ | 02/02/17 |
CsZrCuSe3 | COD | 4320319 | Cmcm (63) | ✔ | 12 | 84 | 1 | 0.1631 | 0.163 | 0.000 | (0;000) | ✗ | 02/02/17 |
CsLiF2 | COD | 4343820 | C2/c (15) | ✔ | 16 | 104 | 3 | 6.5835 | 6.584 | 0.000 | (0;000) | ✗ | 02/02/17 |
CsMoO2F3 | ICSD | 9710 | Imma (74) | ✔ | 14 | 112 | 1 | 3.4674 | 3.490 | 0.000 | (0;000) | ✗ | 02/02/17 |
Sr(BeN)2 | ICSD | 413356 | I4/mcm (140) | ✔ | 10 | 56 | 1 | 1.993 | 2.104 | 0.000 | (0;000) | ✗ | 05/01/17 |
CsSnF3 | ICSD | 236903 | P2_1/c (14) | ✔ | 20 | 176 | 1 | 3.7279 | 3.733 | 0.000 | (0;000) | ✗ | 02/02/17 |
CsK2PdF5 | ICSD | 72301 | P4/mbm (127) | ✔ | 18 | 160 | 2 | 2.2574 | 2.261 | 0.000 | (0;000) | ✗ | 02/02/17 |
InGaS3 | ICSD | 62340 | Ccm2_1 (36) | ✗ | 10 | 88 | 2 | 1.6062 | 1.706 | 0.000 | (0;000) | ✗ | 06/10/16 |
CsOsNOF5 | ICSD | 166587 | P2_1/m (11) | ✔ | 18 | 142 | 1 | 0.0 | 0.000 | 0.670 | (0;000) | ✗ | 02/02/17 |
CsPd2F5 | COD | 1000425 | Imma (74) | ✔ | 16 | 160 | 3 | 0.0 | 0.002 | 0.382 | (0;000) | ✗ | 02/02/17 |
CsRb2PdF5 | ICSD | 35286 | P4/mbm (127) | ✔ | 18 | 160 | 1 | 2.3602 | 2.364 | 0.000 | (0;000) | ✗ | 02/02/17 |
CsFe2F6 | COD | 1529266 | Fd-3m (227) | ✔ | 18 | 134 | 3 | 0.0 | 0.000 | 0.500 | (0;000) | ✗ | 02/02/17 |
Be2Nb | ICSD | 58721 | Fd-3m (227) | ✔ | 6 | 42 | 3 | 0.0 | 0.000 | 0.463 | (0;000) | ✗ | 05/01/17 |
CsHIF7 | ICSD | 71581 | P-1 (2) | ✔ | 20 | 132 | 1 | 4.706 | 4.783 | 0.000 | (0;000) | ✗ | 02/02/17 |
CsSb2F7 | COD | 4343796 | C2/c (15) | ✔ | 20 | 136 | 1 | 4.3589 | 4.409 | 0.000 | (0;000) | ✗ | 02/02/17 |
CsReF8 | ICSD | 410829 | P4/nmm (129) | ✔ | 20 | 160 | 1 | 2.0109 | 2.046 | 0.000 | (0;000) | ✗ | 02/02/17 |
YMgGa | ICSD | 160909 | P-62m (189) | ✗ | 9 | 102 | 3 | 0.0 | 0.019 | 0.169 | (0;000) | ✔ | 28/10/16 |
CsFe2Se3 | ICSD | 187535 | Cmcm (63) | ✔ | 12 | 86 | 1 | 0.0 | 0.000 | 0.229 | (0;000) | ✗ | 02/02/17 |
TaBe2 | ICSD | 58739 | Fd-3m (227) | ✔ | 6 | 42 | 3 | 0.0 | 0.000 | 0.593 | (0;000) | ✗ | 05/01/17 |
CsSO2F | ICSD | 93076 | Pnma (62) | ✔ | 20 | 136 | 1 | 4.8904 | 4.899 | 0.000 | (0;000) | ✗ | 02/02/17 |
PdCl2 | COD | 1010447 | Pnnm (58) | ✔ | 6 | 64 | 1 | 0.7905 | 1.217 | 0.000 | (0;000) | ✗ | 27/01/17 |
CsGaS2 | COD | 1529692 | C2/c (15) | ✔ | 8 | 68 | 1 | 3.367 | 3.379 | 0.000 | (0;000) | ✗ | 02/02/17 |
CsGaS3 | ICSD | 281723 | P2_1/c (14) | ✔ | 20 | 160 | 1 | 2.6307 | 2.708 | 0.000 | (0;000) | ✗ | 02/02/17 |
CsGaSe3 | COD | 1533091 | P2_1/c (14) | ✔ | 20 | 160 | 1 | 1.9338 | 2.031 | 0.000 | (0;000) | ✗ | 02/02/17 |
CsP(HO2)2 | ICSD | 79609 | P2_1/m (11) | ✔ | 16 | 80 | 1 | 5.2962 | 5.388 | 0.000 | (0;000) | ✗ | 02/02/17 |
CsLi2(HO)3 | ICSD | 65150 | P2_1/m (11) | ✔ | 18 | 72 | 1 | 4.6702 | 4.670 | 0.000 | (0;000) | ✗ | 02/02/17 |
SiO2 | ICSD | 75651 | P4_32_12 (96) | ✗ | 12 | 64 | 3 | 5.7082 | 5.708 | 0.000 | (0;000) | ✗ | 06/10/16 |
NbGaO4 | ICSD | 18187 | C2 (5) | ✗ | 12 | 100 | 3 | 3.5733 | 3.781 | 0.000 | (0;000) | ✗ | 06/10/16 |
CsYHgSe3 | COD | 4313795 | Cmcm (63) | ✔ | 12 | 100 | 3 | 1.4666 | 1.467 | 0.000 | (0;000) | ✗ | 02/02/17 |
CsHSO4 | ICSD | 24377 | P2_1/m (11) | ✔ | 14 | 80 | 1 | 5.8881 | 5.889 | 0.000 | (0;000) | ✗ | 02/02/17 |
CsMgI3 | ICSD | 87262 | P6_3/mmc (194) | ✔ | 10 | 80 | 1 | 3.1028 | 3.128 | 0.000 | (0;000) | ✗ | 02/02/17 |
CsMnI3 | COD | 1528241 | P6_3/mmc (194) | ✔ | 10 | 90 | 1 | 0.0 | 0.001 | 0.698 | (0;000) | ✗ | 02/02/17 |
CsNiI3 | ICSD | 423830 | P6_3/mmc (194) | ✔ | 10 | 80 | 1 | 0.0 | 0.017 | 0.383 | (0;000) | ✗ | 02/02/17 |
TiBe2 | ICSD | 616463 | Fd-3m (227) | ✔ | 6 | 40 | 3 | 0.0 | 0.000 | 0.692 | (0;000) | ✗ | 05/01/17 |
ZrBe2 | ICSD | 616515 | P6/mmm (191) | ✔ | 3 | 12 | 1 | 0.0 | 0.004 | 0.679 | (0;000) | ✗ | 05/01/17 |
Be3N2 | ICSD | 25656 | P6_3/mmc (194) | ✔ | 10 | 44 | 1 | 3.3628 | 4.793 | 0.000 | (0;000) | ✗ | 02/02/17 |
CsTiI3 | ICSD | 154258 | P6_3/mmc (194) | ✔ | 10 | 84 | 1 | 0.0 | 0.014 | 0.483 | (0;000) | ✗ | 02/02/17 |
CsVI3 | ICSD | 26453 | P6_3/mmc (194) | ✔ | 10 | 86 | 1 | 0.0 | 0.000 | 0.722 | (0;000) | ✗ | 02/02/17 |
Y5Si3C | ICSD | 618792 | P6_3/mcm (193) | ✔ | 18 | 142 | 3 | 0.0 | 0.000 | 0.608 | (0;000) | ✗ | 02/02/17 |
CsI4 | ICSD | 44621 | P2_1/c (14) | ✔ | 20 | 148 | 1 | 1.4286 | 1.453 | 0.000 | (0;000) | ✗ | 02/02/17 |
CsTaI6 | ICSD | 418487 | C2/c (15) | ✔ | 16 | 128 | 1 | 0.6727 | 0.680 | 0.000 | (0;000) | ✗ | 02/02/17 |