▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▴ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
BaHf(PO4)2 | ICSD | 245690 | C2/m (12) | ✔ | 12 | 80 | 2 | 4.6342 | 4.701 | 0.000 | (0;000) | ✗ | 05/01/17 |
Ca5Si3 | COD | 1525743 | I4/mcm (140) | ✔ | 16 | 124 | 1 | 0.0 | 0.004 | 0.411 | (0;000) | ✗ | 02/02/17 |
Te3As2 | ICSD | 18208 | C2/m (12) | ✔ | 10 | 56 | 2 | 0.3627 | 0.397 | 0.000 | (0;000) | ✔ | 06/10/16 |
CaC2 | ICSD | 24074 | C2/c (15) | ✔ | 6 | 36 | 1 | 2.3901 | 2.972 | 0.000 | (0;000) | ✗ | 06/10/16 |
PbO | ICSD | 99777 | P1 (1) | ✗ | 8 | 80 | 2 | 0.9824 | 0.982 | 0.000 | (0;000) | ✗ | 06/10/16 |
NbCu3S4 | ICSD | 628466 | P-43m (215) | ✗ | 8 | 70 | 3 | 1.635 | 2.077 | 0.000 | (0;000) | ✗ | 06/10/16 |
NbCu3S4 | ICSD | 628471 | P-43m (215) | ✗ | 8 | 70 | 3 | 1.6107 | 2.038 | 0.000 | (0;000) | ✗ | 06/10/16 |
CaCl2 | ICSD | 56769 | Pbcn (60) | ✔ | 12 | 96 | 1 | 5.5921 | 5.702 | 0.000 | (0;000) | ✗ | 02/02/17 |
CaCl2 | ICSD | 86209 | Pnma (62) | ✔ | 12 | 96 | 1 | 2.4831 | 2.483 | 0.000 | (0;000) | ✗ | 02/02/17 |
BaHgO2 | ICSD | 74076 | R-3m (166) | ✔ | 4 | 34 | 1 | 2.5459 | 2.704 | 0.000 | (0;000) | ✗ | 05/01/17 |
Ca(ClO2)2 | COD | 2207379 | Ccce (68) | ✔ | 14 | 96 | 1 | 2.1995 | 2.281 | 0.000 | (0;000) | ✗ | 02/02/17 |
CaGa3Co2 | ICSD | 619207 | Cmcm (63) | ✔ | 12 | 166 | 3 | 0.0 | 0.000 | 0.776 | (0;000) | ✗ | 02/02/17 |
LiCaCoF6 | ICSD | 32730 | P-31c (163) | ✔ | 18 | 144 | 1 | 1.3971 | 1.400 | 0.000 | (0;000) | ✗ | 02/02/17 |
HfH2 | ICSD | 24721 | I4/mmm (139) | ✔ | 3 | 14 | 3 | 0.0 | 0.155 | 0.144 | (0;000) | ✗ | 27/01/17 |
LiCaCrF6 | ICSD | 73985 | P-31c (163) | ✔ | 18 | 138 | 2 | 0.0 | 0.000 | 0.574 | (0;000) | ✗ | 02/02/17 |
BaH2 | ICSD | 615913 | Cmcm (63) | ✔ | 6 | 24 | 1 | 1.7224 | 2.854 | 0.000 | (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 |
NbCu3S4 | ICSD | 628472 | P-43m (215) | ✗ | 8 | 70 | 3 | 1.6338 | 2.075 | 0.000 | (0;000) | ✗ | 06/10/16 |
Ba | ICSD | 109028 | I4/mcm (140) | ✔ | 4 | 40 | 1 | 0.0 | 0.002 | 0.515 | (0;000) | ✗ | 05/01/17 |
Ba | ICSD | 109031 | P4/mmm (123) | ✔ | 1 | 10 | 1 | 0.0 | 0.004 | 0.524 | (0;000) | ✗ | 05/01/17 |
S | COD | 7101265 | Pm-3m (221) | ✔ | 1 | 6 | 1 | 0.0 | 0.000 | 0.698 | (0;000) | ✗ | 27/01/17 |
KCaF3 | ICSD | 181643 | Pnma (62) | ✔ | 20 | 160 | 1 | 6.8806 | 6.902 | 0.000 | (0;000) | ✗ | 02/02/17 |
SiW3 | ICSD | 52476 | Im-3m (229) | ✔ | 4 | 46 | 3 | 0.0 | 0.000 | 0.820 | (0;000) | ✗ | 27/01/17 |
NbCu3Se4 | ICSD | 628478 | P-43m (215) | ✗ | 8 | 70 | 3 | 1.3533 | 1.794 | 0.000 | (0;000) | ✗ | 06/10/16 |
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 |
Ba | ICSD | 52679 | Fm-3m (225) | ✔ | 1 | 10 | 1 | 0.0 | 0.077 | 0.167 | (0;000) | ✗ | 02/02/17 |
SnO | ICSD | 20624 | P2_1mn (31) | ✗ | 4 | 40 | 3 | 0.0 | 0.237 | 0.107 | (0;000) | ✔ | 06/10/16 |
YSb | ICSD | 651741 | Fm-3m (225) | ✔ | 2 | 16 | 3 | 0.0 | 0.071 | 0.218 | (0;000) | ✗ | 27/01/17 |
ZrH2 | ICSD | 24624 | I4/mmm (139) | ✔ | 3 | 14 | 3 | 0.0 | 0.045 | 0.153 | (0;000) | ✗ | 06/10/16 |
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 |
NbCu3Se4 | ICSD | 628479 | P-43m (215) | ✗ | 8 | 70 | 3 | 1.355 | 1.798 | 0.000 | (0;000) | ✗ | 06/10/16 |
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 |
Ba(PIr)2 | COD | 1531850 | I4/mmm (139) | ✔ | 5 | 54 | 2 | 0.0 | 0.022 | 0.646 | (0;000) | ✗ | 05/01/17 |