▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
CsCaH3 | ICSD | 619213 | Pnma (62) | ✔ | 20 | 88 | 1 | 2.0624 | 2.062 | 0.000 | (0;000) | ✗ | 02/02/17 |
CsCa(NO2)3 | ICSD | 56433 | R3 (146) | ✗ | 11 | 70 | 1 | 2.7053 | 2.770 | 0.000 | (0;000) | ✗ | 15/02/17 |
CsCd4As3 | COD | 4326065 | P4/mmm (123) | ✔ | 8 | 72 | 2 | 0.2198 | 0.220 | 0.000 | (0;000) | ✗ | 30/01/17 |
CsCd4As3 | ICSD | 262029 | P4/mmm (123) | ✔ | 8 | 72 | 2 | 0.2198 | 0.220 | 0.000 | (0;000) | ✗ | 07/04/17 |
CsCdAuS2 | ICSD | 85581 | Cmme (67) | ✔ | 10 | 88 | 2 | 2.1236 | 2.236 | 0.000 | (0;000) | ✗ | 30/01/17 |
CsCdBr3 | COD | 1527655 | P6_3/mmc (194) | ✔ | 10 | 84 | 1 | 2.7458 | 2.746 | 0.000 | (0;000) | ✗ | 02/02/17 |
CsCdBr3 | COD | 1010122 | Pm-3m (221) | ✔ | 5 | 42 | 3 | 0.8231 | 1.294 | 0.000 | (0;000) | ✗ | 27/01/17 |
CsCdCl3 | COD | 1010123 | Pm-3m (221) | ✔ | 5 | 42 | 3 | 1.8314 | 2.333 | 0.000 | (0;000) | ✗ | 27/01/17 |
CsCdF3 | ICSD | 49582 | Pm-3m (221) | ✔ | 5 | 42 | 3 | 3.4268 | 4.435 | 0.000 | (0;000) | ✗ | 27/01/17 |
CsCd(NO2)3 | COD | 1010354 | Pm3 (200) | ✔ | 11 | 72 | 3 | 0.0 | 0.000 | 0.870 | (1;000) | ✗ | 27/01/17 |
CsCl | COD | 9008789 | Pm-3m (221) | ✔ | 2 | 16 | 1 | 5.122 | 5.122 | 0.000 | (0;000) | ✗ | 27/01/17 |
CsCl | COD | 9008620 | Fm-3m (225) | ✔ | 2 | 16 | 1 | 4.9154 | 4.979 | 0.000 | (0;000) | ✗ | 27/01/17 |
CSCl2 | ICSD | 300291 | P2_1/c (14) | ✔ | 16 | 96 | 1 | 2.8885 | 2.901 | 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 |
CsClO2 | ICSD | 162803 | Cmcm (63) | ✔ | 8 | 56 | 1 | 2.3848 | 2.676 | 0.000 | (0;000) | ✗ | 27/01/17 |
CsClO4 | ICSD | 63364 | Pnma (62) | ✔ | 24 | 160 | 1 | 6.149 | 6.169 | 0.000 | (0;000) | ✗ | 04/08/17 |
CsClO4 | COD | 1010572 | F-43m (216) | ✗ | 6 | 40 | 1 | 0.533 | 0.533 | 0.000 | (0;000) | ✗ | 15/02/17 |
Cs(CO)2 | ICSD | 154357 | C2/m (12) | ✔ | 10 | 58 | 1 | 2.7093 | 2.798 | 0.000 | (0;000) | ✗ | 27/01/17 |
CsCoCl3 | ICSD | 27511 | P6_3/mmc (194) | ✔ | 10 | 94 | 1 | 0.0 | 0.000 | 0.591 | (0;000) | ✗ | 02/02/17 |
CsCo(CO)4 | ICSD | 31359 | I-4 (82) | ✗ | 10 | 66 | 2 | 3.736 | 3.877 | 0.000 | (0;000) | ✗ | 15/02/17 |
CsCoO2 | ICSD | 424937 | Cmce (64) | ✔ | 16 | 152 | 3 | 0.0 | 0.008 | 0.657 | (0;110) | ✗ | 02/02/17 |
CsCrI3 | ICSD | 23382 | Pbcn (60) | ✔ | 20 | 176 | 1 | 0.0 | 0.008 | 0.457 | (0;000) | ✗ | 22/03/17 |
CsCSN | ICSD | 60871 | Pnma (62) | ✔ | 16 | 96 | 1 | 4.4093 | 4.410 | 0.000 | (0;000) | ✗ | 02/02/17 |
CsCS(OF)3 | ICSD | 415056 | P2_1 (4) | ✗ | 18 | 116 | 1 | 5.319 | 5.319 | 0.000 | (0;000) | ✗ | 22/03/17 |
CsCu2Br3 | ICSD | 150304 | Cmcm (63) | ✔ | 12 | 104 | 1 | 1.5921 | 1.592 | 0.000 | (0;000) | ✗ | 02/02/17 |
CsCu2Cl3 | COD | 2310349 | Cmcm (63) | ✔ | 12 | 104 | 1 | 1.8641 | 1.864 | 0.000 | (0;000) | ✗ | 02/02/17 |
CsCu2F6 | ICSD | 62032 | Imma (74) | ✔ | 18 | 146 | 3 | 0.0 | 0.002 | 0.256 | (1;101) | ✗ | 02/02/17 |
CsCu2I3 | ICSD | 150305 | Cmcm (63) | ✔ | 12 | 104 | 1 | 1.9026 | 1.903 | 0.000 | (0;000) | ✗ | 02/02/17 |
CsCu2ICl2 | ICSD | 60960 | P2_1/m (11) | ✔ | 12 | 104 | 1 | 1.9838 | 1.984 | 0.000 | (0;000) | ✗ | 02/02/17 |
CsCu3O2 | ICSD | 413342 | P-3m1 (164) | ✔ | 6 | 54 | 2 | 1.5592 | 1.641 | 0.000 | (0;000) | ✗ | 27/01/17 |
CsCu3S2 | ICSD | 23326 | P-3m1 (164) | ✔ | 6 | 54 | 2 | 1.6265 | 2.016 | 0.000 | (0;000) | ✗ | 27/01/17 |
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 |
CsCuO | ICSD | 40161 | Cmcm (63) | ✔ | 6 | 52 | 3 | 1.0614 | 1.065 | 0.000 | (0;000) | ✗ | 27/01/17 |
CsCuO2 | COD | 1527507 | Cmcm (63) | ✔ | 8 | 64 | 2 | 0.9188 | 1.187 | 0.000 | (0;000) | ✗ | 27/01/17 |
CsCuS4 | ICSD | 402075 | P2_12_12_1 (19) | ✗ | 24 | 176 | 1 | 1.7745 | 1.793 | 0.000 | (0;000) | ✗ | 04/08/17 |
CsCuSe4 | ICSD | 75195 | P2_12_12_1 (19) | ✗ | 24 | 176 | 1 | 1.1847 | 1.207 | 0.000 | (0;000) | ✗ | 04/08/17 |
CSe2 | ICSD | 60374 | Cmce (64) | ✔ | 6 | 32 | 1 | 1.8396 | 2.057 | 0.000 | (0;000) | ✗ | 27/01/17 |
CSeN | COD | 4300548 | P2_12_12_1 (19) | ✗ | 24 | 120 | 1 | 2.4712 | 2.543 | 0.000 | (0;000) | ✗ | 04/08/17 |
CsF | ICSD | 61563 | Pm-3m (221) | ✔ | 2 | 16 | 3 | 5.6508 | 5.651 | 0.000 | (0;000) | ✗ | 27/01/17 |
CsF | COD | 9008621 | Fm-3m (225) | ✔ | 2 | 16 | 1 | 5.4775 | 5.478 | 0.000 | (0;000) | ✗ | 27/01/17 |
CsFe2F6 | COD | 1529266 | Fd-3m (227) | ✔ | 18 | 134 | 3 | 0.0 | 0.000 | 0.500 | (0;000) | ✗ | 02/02/17 |
CsFe2S3 | COD | 9013450 | Cmcm (63) | ✔ | 12 | 86 | 1 | 0.0 | 0.000 | 0.306 | (0;110) | ✗ | 02/02/17 |
CsFe2Se3 | ICSD | 187535 | Cmcm (63) | ✔ | 12 | 86 | 1 | 0.0 | 0.000 | 0.229 | (0;000) | ✗ | 02/02/17 |
CsFeBr3 | ICSD | 174041 | P6_3/mmc (194) | ✔ | 10 | 76 | 1 | 0.0 | 0.042 | 0.009 | (0;000) | ✗ | 02/02/17 |
CsFeCl3 | ICSD | 300249 | P6_3/mmc (194) | ✔ | 10 | 76 | 1 | 0.0943 | 0.094 | 0.000 | (0;000) | ✗ | 02/02/17 |
CsFeCl4 | COD | 1527810 | Pnma (62) | ✔ | 24 | 180 | 1 | 0.0 | 0.000 | 0.545 | (1;011) | ✗ | 04/08/17 |
CsFeF3 | ICSD | 49583 | Pm-3m (221) | ✔ | 5 | 38 | 3 | 0.0 | 0.090 | 0.648 | (0;000) | ✗ | 27/01/17 |
CsFeF4 | ICSD | 6043 | P4/nmm (129) | ✔ | 24 | 180 | 1 | 0.0 | 0.001 | 0.659 | (0;001) | ✗ | 04/08/17 |
CsFeI4 | ICSD | 66811 | P2_1/c (14) | ✔ | 24 | 180 | 1 | 0.0 | 0.000 | 0.462 | (1;111) | ✗ | 04/08/17 |
CsFeO2 | ICSD | 421173 | Fd-3m (227) | ✔ | 8 | 58 | 3 | 0.0 | 0.000 | 0.275 | (0;000) | ✗ | 27/01/17 |
CsFeS2 | ICSD | 53234 | Immm (71) | ✔ | 8 | 58 | 1 | 0.0 | 0.002 | 0.010 | (0;111) | ✗ | 02/02/17 |
CsGa2Au3 | COD | 4329714 | Pnma (62) | ✔ | 24 | 272 | 3 | 0.0 | 0.031 | 0.373 | (1;000) | ✗ | 04/08/17 |
CsGa3 | COD | 1525535 | I-4m2 (119) | ✗ | 12 | 144 | 3 | 0.0 | 0.104 | 0.100 | (0;000) | ✔ | 26/04/17 |
CsGa7 | COD | 1525536 | R-3m (166) | ✔ | 16 | 200 | 3 | 0.0 | 0.038 | 0.400 | (1;111) | ✗ | 02/02/17 |
CsGaBr4 | ICSD | 4037 | Pnma (62) | ✔ | 24 | 200 | 1 | 3.931 | 3.931 | 0.000 | (0;000) | ✗ | 04/08/17 |
CsGaCl4 | COD | 7221990 | Pnma (62) | ✔ | 24 | 200 | 1 | 4.7858 | 4.786 | 0.000 | (0;000) | ✗ | 04/08/17 |
CsGaP3HO10 | ICSD | 409692 | C2 (5) | ✗ | 16 | 98 | 3 | 5.0435 | 5.116 | 0.000 | (0;000) | ✗ | 22/03/17 |
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 |
CsGeBr3 | ICSD | 80320 | Pm-3m (221) | ✔ | 5 | 34 | 3 | 0.0 | 0.090 | 0.026 | (1;111) | ✗ | 27/01/17 |
CsGeCl3 | ICSD | 23121 | R3 (146) | ✗ | 5 | 34 | 1 | 2.3076 | 2.309 | 0.000 | (0;000) | ✗ | 28/10/16 |
CsH | ICSD | 53235 | Pm-3m (221) | ✔ | 2 | 10 | 3 | 2.5955 | 2.596 | 0.000 | (0;000) | ✗ | 27/01/17 |
CsH | COD | 9008622 | Fm-3m (225) | ✔ | 2 | 10 | 1 | 2.2162 | 2.216 | 0.000 | (0;000) | ✗ | 27/01/17 |
CsH3O2 | COD | 2012559 | I4_1/amd (141) | ✔ | 12 | 48 | 3 | 4.5945 | 4.737 | 0.000 | (0;000) | ✗ | 22/03/17 |
CsHC2 | ICSD | 107491 | R3c (161) | ✗ | 24 | 108 | 1 | 4.3992 | 4.467 | 0.000 | (0;000) | ✗ | 04/08/17 |
CsHCO2 | ICSD | 172202 | Pbcm (57) | ✔ | 20 | 104 | 1 | 4.4038 | 4.408 | 0.000 | (0;000) | ✗ | 02/02/17 |
CsHF2 | ICSD | 45858 | I4/mcm (140) | ✔ | 8 | 48 | 1 | 6.638 | 6.638 | 0.000 | (0;000) | ✗ | 27/01/17 |
CsHg | ICSD | 62000 | P-1 (2) | ✔ | 8 | 84 | 2 | 0.0 | 0.065 | 0.438 | (0;001) | ✗ | 02/02/17 |
CsHg2 | ICSD | 408695 | Imma (74) | ✔ | 6 | 66 | 3 | 0.0 | 0.000 | 0.434 | (0;011) | ✗ | 02/02/17 |
CsHg2Br5 | COD | 1530529 | P2_1/m (11) | ✔ | 16 | 136 | 1 | 2.1222 | 2.122 | 0.000 | (0;000) | ✗ | 02/02/17 |
CsHg5Cl11 | ICSD | 39767 | C2/m (12) | ✔ | 17 | 146 | 3 | 2.8247 | 2.946 | 0.000 | (0;000) | ✗ | 02/02/17 |
CsHgBr3 | COD | 1010118 | Pm-3m (221) | ✔ | 5 | 42 | 3 | 0.0 | 0.000 | 0.157 | (1;000) | ✗ | 27/01/17 |
CsHgCl3 | COD | 1010121 | Pm-3m (221) | ✔ | 5 | 42 | 3 | 0.0 | 0.397 | 0.385 | (0;000) | ✗ | 27/01/17 |
CsHgF3 | COD | 1527533 | Pm-3m (221) | ✔ | 5 | 42 | 3 | 0.5586 | 2.703 | 0.000 | (0;000) | ✗ | 27/01/17 |
CsHg(NO2)3 | COD | 1010350 | Pm3 (200) | ✔ | 11 | 72 | 3 | 0.0 | 0.000 | 0.653 | (1;000) | ✗ | 27/01/17 |
CsHIF7 | ICSD | 71581 | P-1 (2) | ✔ | 20 | 132 | 1 | 4.706 | 4.783 | 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 |
CsI | COD | 9008790 | Pm-3m (221) | ✔ | 2 | 16 | 1 | 3.7608 | 3.761 | 0.000 | (0;000) | ✗ | 22/03/17 |
CsI | ICSD | 61517 | Fm-3m (225) | ✔ | 2 | 16 | 1 | 3.8212 | 3.821 | 0.000 | (0;000) | ✗ | 22/03/17 |
CsI | COD | 9016261 | Pnma (62) | ✔ | 8 | 64 | 1 | 2.5201 | 2.520 | 0.000 | (0;000) | ✗ | 02/02/17 |
CsI | COD | 2106199 | P4/mmm (123) | ✔ | 2 | 16 | 3 | 0.0 | 0.000 | 0.705 | (0;000) | ✗ | 22/12/16 |
CsI2Br | ICSD | 23120 | Pnma (62) | ✔ | 16 | 120 | 1 | 1.8017 | 1.820 | 0.000 | (0;000) | ✗ | 02/02/17 |
CsI3 | ICSD | 38169 | Pnma (62) | ✔ | 16 | 120 | 1 | 1.7324 | 1.753 | 0.000 | (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 |
CsICl2 | COD | 2106471 | R-3m (166) | ✔ | 4 | 30 | 1 | 2.1106 | 2.293 | 0.000 | (0;000) | ✗ | 22/03/17 |
CsICl2 | COD | 1010073 | R-3m (166) | ✔ | 4 | 30 | 1 | 0.0 | 0.000 | 0.740 | (1;111) | ✗ | 22/03/17 |
CsIn3 | COD | 1524224 | I-4m2 (119) | ✗ | 12 | 144 | 3 | 0.0 | 0.239 | 0.019 | (0;000) | ✔ | 11/04/17 |
CsIn5S8 | ICSD | 40878 | C2/m (12) | ✔ | 14 | 122 | 3 | 1.466 | 1.558 | 0.000 | (0;000) | ✗ | 02/02/17 |
CsInI4 | ICSD | 36602 | P2_1/c (14) | ✔ | 24 | 200 | 1 | 2.1482 | 2.148 | 0.000 | (0;000) | ✗ | 04/08/17 |
CsIO3 | COD | 1010900 | Pm-3m (221) | ✔ | 5 | 34 | 3 | 0.0 | 0.003 | 0.715 | (0;000) | ✗ | 22/03/17 |
CsIO4 | COD | 1521182 | Pnma (62) | ✔ | 24 | 160 | 1 | 3.2435 | 3.254 | 0.000 | (0;000) | ✗ | 04/08/17 |
CsK2 | COD | 1525293 | P6_3/mmc (194) | ✔ | 12 | 108 | 1 | 0.0 | 0.003 | 0.660 | (0;000) | ✗ | 02/02/17 |
CsK2CoO2 | ICSD | 74889 | I4/mmm (139) | ✔ | 6 | 56 | 1 | 0.0 | 0.066 | 0.476 | (0;000) | ✗ | 27/01/17 |
CsK2PdF5 | ICSD | 72301 | P4/mbm (127) | ✔ | 18 | 160 | 2 | 2.2574 | 2.261 | 0.000 | (0;000) | ✗ | 02/02/17 |
CsK2Sb | ICSD | 53237 | Fm-3m (225) | ✔ | 4 | 32 | 1 | 0.9783 | 0.978 | 0.000 | (0;000) | ✗ | 27/01/17 |
CsK2Sc(PO4)2 | ICSD | 61787 | P-3m1 (164) | ✔ | 14 | 96 | 3 | 4.3143 | 4.408 | 0.000 | (0;000) | ✗ | 02/02/17 |
CsKC2 | ICSD | 189822 | Pnma (62) | ✔ | 16 | 104 | 1 | 3.2247 | 3.231 | 0.000 | (0;000) | ✗ | 02/02/17 |
CsK(ClO4)2 | ICSD | 22504 | R-3m (166) | ✔ | 12 | 80 | 1 | 6.1528 | 6.157 | 0.000 | (0;000) | ✗ | 02/02/17 |