▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▴ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Y(SiPt)2 | ICSD | 649646 | P4/nmm (129) | ✔ | 10 | 78 | 3 | 0.0 | 0.000 | 0.966 | (0;000) | ✗ | 27/01/17 |
PdF4 | ICSD | 1555 | F2dd (43) | ✗ | 10 | 76 | 3 | 0.6264 | 0.669 | 0.000 | (0;000) | ✗ | 06/10/16 |
V(NF2)3 | COD | 9014754 | Fm-3m (225) | ✔ | 10 | 70 | 1 | 0.0 | 0.003 | 0.251 | (0;000) | ✗ | 27/01/17 |
Si3Pt2 | ICSD | 77974 | P6_3/mmc (194) | ✔ | 10 | 64 | 3 | 0.0 | 0.012 | 0.767 | (1;000) | ✗ | 27/01/17 |
Rb2NaRhF6 | ICSD | 27341 | Fm-3m (225) | ✔ | 10 | 86 | 1 | 1.8935 | 1.894 | 0.000 | (0;000) | ✗ | 27/01/17 |
Ca(BC)2 | ICSD | 166515 | P4_2/mmc (131) | ✔ | 10 | 48 | 2 | 0.0 | 0.003 | 0.249 | (1;000) | ✗ | 27/01/17 |
PtF4 | ICSD | 71579 | F2dd (43) | ✗ | 10 | 76 | 3 | 1.3016 | 1.324 | 0.000 | (0;000) | ✗ | 06/10/16 |
V3GeN | ICSD | 637164 | Cmcm (63) | ✔ | 10 | 96 | 3 | 0.0 | 0.007 | 0.518 | (0;000) | ✗ | 27/01/17 |
ZnCO3 | COD | 9000099 | R-3c (167) | ✔ | 10 | 68 | 3 | 3.7274 | 4.675 | 0.000 | (0;000) | ✗ | 27/01/17 |
SnHgO3 | ICSD | 260029 | R-3c (167) | ✔ | 10 | 88 | 3 | 0.0 | 0.043 | 0.012 | (0;000) | ✗ | 27/01/17 |
Sc2CoSi2 | ICSD | 624952 | C2/m (12) | ✔ | 10 | 94 | 3 | 0.0 | 0.009 | 0.636 | (0;110) | ✗ | 27/01/17 |
Sb2Pt3 | ICSD | 42752 | Ibam (72) | ✔ | 10 | 80 | 3 | 0.0 | 0.011 | 0.382 | (0;111) | ✗ | 27/01/17 |
NaTl2RhF6 | ICSD | 27340 | Fm-3m (225) | ✔ | 10 | 94 | 1 | 1.6166 | 1.617 | 0.000 | (0;000) | ✗ | 27/01/17 |
Cs2NaYBr6 | ICSD | 65733 | Fm-3m (225) | ✔ | 10 | 80 | 2 | 4.1305 | 4.131 | 0.000 | (0;000) | ✗ | 02/02/17 |
BaNbS3 | ICSD | 659538 | P6_3/mmc (194) | ✔ | 10 | 82 | 1 | 0.0 | 0.000 | 0.531 | (0;000) | ✗ | 02/02/17 |
K2NaInF6 | ICSD | 22113 | Fm-3m (225) | ✔ | 10 | 82 | 1 | 5.6735 | 5.701 | 0.000 | (0;000) | ✗ | 27/01/17 |
Ga2TeSe2 | ICSD | 64617 | I4_1md (109) | ✗ | 10 | 88 | 3 | 1.673 | 1.679 | 0.000 | (0;000) | ✗ | 07/10/16 |
Te2Rh3 | COD | 2310516 | Cmcm (63) | ✔ | 10 | 126 | 3 | 0.0 | 0.000 | 0.790 | (0;110) | ✗ | 27/01/17 |
Y2Si2Rh | ICSD | 48176 | C2/m (12) | ✔ | 10 | 94 | 3 | 0.0 | 0.002 | 0.553 | (0;110) | ✗ | 27/01/17 |
NaNO3 | COD | 2310364 | R-3c (167) | ✔ | 10 | 64 | 2 | 3.1867 | 3.486 | 0.000 | (0;000) | ✗ | 27/01/17 |
Mn3GeC | ICSD | 25775 | I4/mcm (140) | ✔ | 10 | 106 | 3 | 0.0 | 0.000 | 0.840 | (0;000) | ✗ | 27/01/17 |
Ba(SbPd)2 | ICSD | 604350 | P4/nmm (129) | ✔ | 10 | 112 | 3 | 0.0 | 0.005 | 0.787 | (0;000) | ✗ | 02/02/17 |
MoP4 | ICSD | 105057 | C2/c (15) | ✔ | 10 | 68 | 2 | 0.0 | 0.019 | 0.126 | (1;000) | ✔ | 04/10/16 |
LiIO3 | ICSD | 35473 | P6_3 (173) | ✗ | 10 | 56 | 3 | 0.4522 | 0.636 | 0.000 | (0;000) | ✔ | 29/11/16 |
LiIO3 | ICSD | 35475 | P6_3 (173) | ✗ | 10 | 56 | 1 | 3.8193 | 3.892 | 0.000 | (0;000) | ✗ | 29/11/16 |
LiIO3 | ICSD | 40360 | P6_3 (173) | ✗ | 10 | 56 | 0 | 3.695 | 3.770 | 0.000 | (0;000) | ✗ | 29/11/16 |
LiIO3 | ICSD | 40361 | P6_3 (173) | ✗ | 10 | 56 | 0 | 3.7323 | 3.808 | 0.000 | (0;000) | ✗ | 29/11/16 |
LiIO3 | ICSD | 40362 | P6_3 (173) | ✗ | 10 | 56 | 0 | 3.7988 | 3.879 | 0.000 | (0;000) | ✗ | 29/11/16 |
LiIO3 | ICSD | 40364 | P6_3 (173) | ✗ | 10 | 56 | 0 | 3.7008 | 3.766 | 0.000 | (0;000) | ✗ | 29/11/16 |
LiIO3 | ICSD | 40365 | P6_3 (173) | ✗ | 10 | 56 | 0 | 3.7008 | 3.766 | 0.000 | (0;000) | ✗ | 29/11/16 |
Sc2Si2Ru | ICSD | 420133 | C2/m (12) | ✔ | 10 | 92 | 3 | 0.0 | 0.002 | 0.445 | (0;001) | ✗ | 27/01/17 |
V3Sb2 | ICSD | 41814 | R-3m (166) | ✔ | 10 | 98 | 3 | 0.0 | 0.014 | 0.367 | (0;000) | ✗ | 27/01/17 |
SbS2NF6 | ICSD | 170871 | C2/m (12) | ✔ | 10 | 64 | 1 | 2.5886 | 2.589 | 0.000 | (0;000) | ✗ | 27/01/17 |
FeCO3 | COD | 9015260 | R-3c (167) | ✔ | 10 | 60 | 3 | 0.8678 | 0.959 | 0.000 | (0;000) | ✗ | 27/01/17 |
V3PC | ICSD | 618621 | Cmcm (63) | ✔ | 10 | 96 | 3 | 0.0 | 0.003 | 0.568 | (0;000) | ✗ | 27/01/17 |
Co2CuGe2 | ICSD | 62856 | Pmma (51) | ✔ | 10 | 106 | 3 | 0.0 | 0.000 | 0.865 | (1;000) | ✗ | 27/01/17 |
BaVS3 | COD | 1008377 | P6_3/mmc (194) | ✔ | 10 | 82 | 3 | 0.0 | 0.000 | 0.675 | (1;000) | ✗ | 02/02/17 |
ScSi3Ni | ICSD | 646478 | Cm2m (38) | ✗ | 10 | 66 | 3 | 0.0 | 0.003 | 0.782 | ? | ✗ | 06/10/16 |
CF4 | ICSD | 65786 | C2/c (15) | ✔ | 10 | 64 | 1 | 9.3762 | 9.446 | 0.000 | (0;000) | ✗ | 27/01/17 |
NiCO3 | COD | 9007712 | R-3c (167) | ✔ | 10 | 64 | 3 | 0.0 | 0.009 | 0.110 | (0;000) | ✗ | 27/01/17 |
SrTaNO2 | ICSD | 411137 | I4/mcm (140) | ✔ | 10 | 80 | 3 | 0.3862 | 0.386 | 0.000 | (0;000) | ✗ | 27/01/17 |
Mg2NiH2 | ICSD | 600055 | C2/m (12) | ✔ | 10 | 64 | 3 | 0.0 | 0.011 | 0.762 | (1;000) | ✗ | 27/01/17 |
Cr2O3 | COD | 1011067 | R-3c (167) | ✔ | 10 | 92 | 3 | 0.0 | 0.020 | 0.757 | (1;000) | ✗ | 27/01/17 |
Cr2S3 | COD | 9007441 | R-3 (148) | ✔ | 10 | 92 | 3 | 0.0 | 0.006 | 0.349 | (1;111) | ✗ | 27/01/17 |
RbNO3 | COD | 2106532 | Pmmn (59) | ✔ | 10 | 64 | 1 | 3.2649 | 3.265 | 0.000 | (0;000) | ✗ | 27/01/17 |
Cr2Se3 | COD | 1527062 | R-3 (148) | ✔ | 10 | 92 | 3 | 0.0 | 0.013 | 0.360 | (1;000) | ✗ | 27/01/17 |
ScSi3Ni | ICSD | 41833 | Cm2m (38) | ✗ | 10 | 66 | 3 | 0.0 | 0.007 | 0.782 | ? | ✗ | 06/10/16 |
ScSi3Ni | ICSD | 41832 | Cm2m (38) | ✗ | 10 | 66 | 3 | 0.0 | 0.006 | 0.787 | ? | ✗ | 06/10/16 |
CdSbS2Br | ICSD | 171723 | C2/m (12) | ✔ | 10 | 72 | 3 | 1.4947 | 1.517 | 0.000 | (0;000) | ✗ | 02/02/17 |
BaTiSe3 | ICSD | 616131 | P6_3/mmc (194) | ✔ | 10 | 80 | 1 | 0.0 | 0.002 | 0.267 | (1;000) | ✗ | 02/02/17 |
Ga2O3 | ICSD | 166198 | C2/m (12) | ✔ | 10 | 88 | 3 | 2.4727 | 2.475 | 0.000 | (0;000) | ✗ | 06/10/16 |
KSc2F7 | ICSD | 47227 | Cmmm (65) | ✔ | 10 | 80 | 3 | 5.8983 | 5.906 | 0.000 | (0;000) | ✗ | 27/01/17 |
Sr2CdWO6 | ICSD | 71839 | Fm-3m (225) | ✔ | 10 | 82 | 3 | 3.1187 | 3.218 | 0.000 | (0;000) | ✗ | 27/01/17 |
Ga2Se3 | ICSD | 35028 | Cc (9) | ✗ | 10 | 88 | 3 | 1.0285 | 1.029 | 0.000 | (0;000) | ✗ | 06/10/16 |
Cd(PtO2)3 | ICSD | 35407 | Cmmm (65) | ✔ | 10 | 78 | 3 | 0.0 | 0.262 | 0.070 | (0;000) | ✗ | 27/01/17 |
BaTaSe3 | ICSD | 659547 | P6_3/mmc (194) | ✔ | 10 | 82 | 1 | 0.0 | 0.000 | 0.422 | (0;000) | ✗ | 02/02/17 |
Ba2CdAs2 | ICSD | 422941 | Cmc2_1 (36) | ✗ | 10 | 84 | 1 | 0.4169 | 0.417 | 0.000 | (0;000) | ✔ | 28/11/16 |
CdSnO3 | ICSD | 180400 | R-3 (148) | ✔ | 10 | 88 | 3 | 1.1762 | 1.263 | 0.000 | (0;000) | ✗ | 27/01/17 |
Ca2CdAs2 | ICSD | 422579 | Ccm2_1 (36) | ✗ | 10 | 84 | 1 | 0.8205 | 0.821 | 0.000 | (0;000) | ✗ | 06/10/16 |
Sr2CdAs2 | ICSD | 422940 | Ccm2_1 (36) | ✗ | 10 | 84 | 1 | 0.5433 | 0.543 | 0.000 | (0;000) | ✗ | 06/10/16 |
BaZrSe3 | ICSD | 616136 | P6_3/mmc (194) | ✔ | 10 | 64 | 1 | 0.0 | 0.005 | 0.254 | (0;000) | ✗ | 02/02/17 |
Na2PdS2 | ICSD | 76533 | Cmc2_1 (36) | ✗ | 10 | 80 | 1 | 0.9578 | 1.378 | 0.000 | (0;000) | ✗ | 06/10/16 |
Ta2Se3 | ICSD | 42982 | P2_1/m (11) | ✔ | 10 | 88 | 3 | 0.0 | 0.066 | 0.151 | (1;010) | ✗ | 27/01/17 |
BaVSe3 | COD | 1521756 | P6_3/mmc (194) | ✔ | 10 | 82 | 1 | 0.0 | 0.000 | 0.358 | (0;000) | ✗ | 02/02/17 |
Na2PtSe2 | ICSD | 40429 | Cmc2_1 (36) | ✗ | 10 | 80 | 1 | 0.8836 | 1.266 | 0.000 | (0;000) | ✗ | 06/10/16 |
K2NaYF6 | ICSD | 22115 | Fm-3m (225) | ✔ | 10 | 80 | 2 | 6.5571 | 6.557 | 0.000 | (0;000) | ✗ | 27/01/17 |
Na2PdSe2 | ICSD | 644936 | Cmc2_1 (36) | ✗ | 10 | 80 | 1 | 0.7075 | 1.180 | 0.000 | (0;000) | ✗ | 06/10/16 |
Na2PtS2 | ICSD | 87219 | Cmc2_1 (36) | ✗ | 10 | 80 | 1 | 1.1175 | 1.485 | 0.000 | (0;000) | ✗ | 06/10/16 |
CdGeO3 | ICSD | 30971 | R-3 (148) | ✔ | 10 | 68 | 3 | 1.7638 | 1.904 | 0.000 | (0;000) | ✗ | 27/01/17 |
V3PN | ICSD | 644620 | Cmcm (63) | ✔ | 10 | 98 | 3 | 0.0 | 0.000 | 0.905 | (1;110) | ✗ | 27/01/17 |
K2HBrO | ICSD | 78734 | P2_1/m (11) | ✔ | 10 | 64 | 1 | 3.7379 | 3.738 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ba(ZnSn)2 | ICSD | 25339 | P4/nmm (129) | ✔ | 10 | 124 | 3 | 0.0 | 0.019 | 0.428 | (1;000) | ✗ | 02/02/17 |
Rb2HBrO | ICSD | 78735 | P2_1/m (11) | ✔ | 10 | 64 | 1 | 3.6511 | 3.671 | 0.000 | (0;000) | ✗ | 02/02/17 |
CsBeH3 | COD | 4343938 | P2_1/m (11) | ✔ | 10 | 32 | 1 | 3.2267 | 3.555 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ag2PbO2 | COD | 1509690 | C2/c (15) | ✔ | 10 | 96 | 3 | 0.9851 | 1.337 | 0.000 | (0;000) | ✗ | 05/01/17 |
Ag2O3 | COD | 7109247 | Pn-3m (224) | ✔ | 10 | 80 | 3 | 0.0 | 0.000 | 0.779 | (0;000) | ✗ | 05/01/17 |
K2NaRhF6 | ICSD | 27342 | Fm-3m (225) | ✔ | 10 | 86 | 1 | 1.876 | 1.876 | 0.000 | (0;000) | ✗ | 27/01/17 |
MnSbS2Br | ICSD | 172782 | C2/m (12) | ✔ | 10 | 78 | 3 | 0.0 | 0.002 | 0.364 | (1;111) | ✗ | 02/02/17 |
Bi2O3 | ICSD | 168810 | R3m (160) | ✗ | 10 | 56 | 2 | 2.2643 | 2.309 | 0.000 | (0;000) | ✗ | 06/10/16 |
Hf3Si2 | ICSD | 53041 | P4/mbm (127) | ✔ | 10 | 88 | 3 | 0.0 | 0.002 | 0.762 | (1;001) | ✗ | 27/01/17 |
ZrNiH3 | ICSD | 43277 | Cmcm (63) | ✔ | 10 | 34 | 3 | 0.0 | 0.000 | 0.657 | (1;110) | ✗ | 27/01/17 |
K2NaTlF6 | ICSD | 22114 | Fm-3m (225) | ✔ | 10 | 82 | 2 | 3.9766 | 3.977 | 0.000 | (0;000) | ✗ | 27/01/17 |
AgBiO3 | COD | 1509237 | R-3 (148) | ✔ | 10 | 88 | 3 | 0.0 | 0.018 | 0.126 | (1;000) | ✗ | 05/01/17 |
Na2NiO2 | ICSD | 14159 | Cmc2_1 (36) | ✗ | 10 | 80 | 1 | 0.9652 | 1.341 | 0.000 | (0;000) | ✗ | 06/10/16 |
K2NaScF6 | ICSD | 65730 | Fm-3m (225) | ✔ | 10 | 80 | 1 | 6.9921 | 6.992 | 0.000 | (0;000) | ✗ | 27/01/17 |
K2NaMnF6 | ICSD | 61117 | I4/mmm (139) | ✔ | 10 | 84 | 1 | 0.0 | 0.052 | 0.331 | (0;000) | ✗ | 27/01/17 |
Hf2Ni2Sn | ICSD | 107096 | P4/mbm (127) | ✔ | 10 | 116 | 3 | 0.0 | 0.001 | 0.879 | (0;001) | ✗ | 27/01/17 |
Cs2KAgF6 | ICSD | 16783 | Fm-3m (225) | ✔ | 10 | 80 | 3 | 0.0 | 0.000 | 0.534 | (0;000) | ✗ | 05/01/17 |
CsAgF3 | COD | 1509275 | I4/mcm (140) | ✔ | 10 | 82 | 3 | 0.0 | 0.011 | 0.262 | (0;000) | ✗ | 05/01/17 |
Fe2O3 | ICSD | 189439 | Cmcm (63) | ✔ | 10 | 68 | 3 | 0.0 | 0.008 | 0.707 | (0;110) | ✗ | 27/01/17 |
TlBSe3 | ICSD | 411344 | Cc (9) | ✗ | 10 | 68 | 2 | 0.841 | 1.470 | 0.000 | (0;000) | ✗ | 06/10/16 |
RbAgF3 | COD | 1509323 | I4/mcm (140) | ✔ | 10 | 82 | 3 | 0.0 | 0.013 | 0.273 | (0;000) | ✗ | 05/01/17 |
Bi(BO2)3 | ICSD | 48025 | C2 (5) | ✗ | 10 | 50 | 3 | 3.639 | 4.023 | 0.000 | (0;000) | ✗ | 06/10/16 |
Bi(BO2)3 | ICSD | 173745 | C2 (5) | ✗ | 10 | 50 | 3 | 3.5492 | 3.755 | 0.000 | (0;000) | ✗ | 06/10/16 |
Bi(BO2)3 | ICSD | 173746 | P1 (1) | ✗ | 10 | 50 | 3 | 2.2969 | 2.382 | 0.000 | (0;000) | ✗ | 06/10/16 |
Bi(BO2)3 | ICSD | 245889 | C2 (5) | ✗ | 10 | 50 | 3 | 3.625 | 4.005 | 0.000 | (0;000) | ✗ | 06/10/16 |
Bi(BO2)3 | ICSD | 245890 | C2 (5) | ✗ | 10 | 50 | 3 | 3.6363 | 4.007 | 0.000 | (0;000) | ✗ | 06/10/16 |
BaMg(CO3)2 | ICSD | 193059 | R-3m (166) | ✔ | 10 | 64 | 2 | 4.141 | 4.238 | 0.000 | (0;000) | ✗ | 02/02/17 |
Bi(BO2)3 | ICSD | 245892 | C2 (5) | ✗ | 10 | 50 | 3 | 3.6481 | 4.036 | 0.000 | (0;000) | ✗ | 06/10/16 |
Bi(BO2)3 | ICSD | 245893 | C2 (5) | ✗ | 10 | 50 | 3 | 3.6325 | 4.010 | 0.000 | (0;000) | ✗ | 06/10/16 |