▹ Formula | ▹ Source | ▴ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Zn2SiO4 | COD | 9007526 | I-42d (122) | ✗ | 14 | 104 | 3 | 2.8884 | 2.888 | 0.000 | (0;000) | ✗ | 15/02/17 |
ZnF2 | COD | 9007539 | P4_2/mnm (136) | ✔ | 6 | 52 | 3 | 3.5066 | 3.507 | 0.000 | (0;000) | ✗ | 27/01/17 |
RuO2 | COD | 9007541 | P4_2/mnm (136) | ✔ | 6 | 56 | 3 | 0.0 | 0.001 | 0.306 | (0;000) | ✗ | 27/01/17 |
OsO2 | COD | 9007542 | P4_2/mnm (136) | ✔ | 6 | 56 | 3 | 0.0 | 0.008 | 0.316 | (0;000) | ✗ | 27/01/17 |
Sb2Te3 | COD | 9007590 | R-3m (166) | ✔ | 5 | 28 | 2 | 0.1121 | 0.227 | 0.000 | (1;000) | ✗ | 27/01/17 |
Sb2Te2Se | COD | 9007591 | R-3m (166) | ✔ | 5 | 28 | 2 | 0.3356 | 0.346 | 0.000 | (1;000) | ✗ | 27/01/17 |
SnWO4 | COD | 9007595 | Pnna (52) | ✔ | 24 | 264 | 3 | 1.3217 | 1.354 | 0.000 | (0;000) | ✗ | 04/08/17 |
Cu2H3ClO3 | COD | 9007603 | R-3m (166) | ✔ | 18 | 100 | 3 | 0.0 | 0.000 | 0.621 | (1;000) | ✗ | 27/01/17 |
PbWO4 | COD | 9007617 | P2_1/c (14) | ✔ | 24 | 264 | 3 | 2.4216 | 2.447 | 0.000 | (0;000) | ✗ | 04/08/17 |
AsO2 | COD | 9007637 | Pnma (62) | ✔ | 24 | 136 | 3 | 4.0181 | 4.167 | 0.000 | (0;000) | ✗ | 04/08/17 |
KNaSO4 | COD | 9007638 | P3m1 (156) | ✗ | 14 | 96 | 1 | 5.0638 | 5.136 | 0.000 | (0;000) | ✗ | 15/02/17 |
K3Na(SO4)2 | COD | 9007639 | P-3m1 (164) | ✔ | 14 | 96 | 1 | 5.5412 | 5.638 | 0.000 | (0;000) | ✗ | 02/02/17 |
FeS | COD | 9007651 | P-62c (190) | ✗ | 24 | 168 | 3 | 0.0 | 0.001 | 0.589 | ? | ✗ | 04/08/17 |
FeS | COD | 9007654 | Pnma (62) | ✔ | 8 | 56 | 3 | 0.0 | 0.012 | 0.184 | (1;000) | ✗ | 27/01/17 |
MoS2 | COD | 9007660 | P6_3/mmc (194) | ✔ | 6 | 52 | 2 | 0.7111 | 1.549 | 0.000 | (0;000) | ✗ | 27/01/17 |
CoAs | COD | 9007664 | Pnma (62) | ✔ | 8 | 88 | 3 | 0.0 | 0.024 | 0.383 | (0;000) | ✗ | 05/01/17 |
FeAs | COD | 9007671 | Pnma (62) | ✔ | 8 | 52 | 3 | 0.0 | 0.001 | 0.486 | (0;011) | ✗ | 05/01/17 |
CoS2 | COD | 9007682 | Pa3 (205) | ✔ | 12 | 116 | 3 | 0.0 | 0.000 | 0.653 | (0;111) | ✗ | 27/01/17 |
MnCO3 | COD | 9007691 | R-3c (167) | ✔ | 10 | 74 | 3 | 0.0 | 0.001 | 0.699 | (0;000) | ✗ | 27/01/17 |
TlSbS2 | COD | 9007704 | P-1 (2) | ✔ | 16 | 120 | 3 | 1.3814 | 1.381 | 0.000 | (0;000) | ✗ | 02/02/17 |
NiCO3 | COD | 9007712 | R-3c (167) | ✔ | 10 | 64 | 3 | 0.0 | 0.009 | 0.110 | (0;000) | ✗ | 27/01/17 |
CoCO3 | COD | 9007713 | R-3c (167) | ✔ | 10 | 78 | 3 | 0.0 | 0.000 | 0.698 | (1;100) | ✗ | 27/01/17 |
Tc2Pt(NO2)4 | COD | 9007726 | P-1 (2) | ✔ | 15 | 108 | 1 | 0.0 | 0.803 | 1.000 | (0;000) | ✗ | 02/02/17 |
TlV3O8 | COD | 9007733 | P2_1/m (11) | ✔ | 24 | 200 | 3 | 1.6922 | 1.692 | 0.000 | (0;000) | ✗ | 04/08/17 |
Ba(Mo3S4)2 | COD | 9007736 | R-3 (148) | ✔ | 15 | 142 | 3 | 0.0 | 0.036 | 0.438 | (1;000) | ✗ | 02/02/17 |
Na4I2O | COD | 9007749 | I4/mmm (139) | ✔ | 7 | 56 | 1 | 2.299 | 2.299 | 0.000 | (0;000) | ✗ | 30/01/17 |
AsPb2Cl2O3 | COD | 9007762 | P2_1/m (11) | ✔ | 16 | 130 | 2 | 0.0 | 0.000 | 0.849 | (0;001) | ✗ | 30/01/17 |
Cu2P2O7 | COD | 9007764 | C2/c (15) | ✔ | 22 | 148 | 3 | 0.0 | 0.002 | 0.230 | (0;110) | ✗ | 07/08/17 |
Na3ClO | COD | 9007768 | Pm-3m (221) | ✔ | 5 | 40 | 1 | 2.1182 | 2.118 | 0.000 | (0;000) | ✗ | 27/01/17 |
Y(ClO2)3 | COD | 9007776 | P2/c (13) | ✔ | 20 | 136 | 1 | 0.0 | 0.001 | 0.398 | (1;110) | ✗ | 02/02/17 |
Mg2SiPt | COD | 9007784 | P6_3/mmc (194) | ✔ | 8 | 68 | 3 | 0.0 | 0.000 | 0.570 | (1;000) | ✗ | 27/01/17 |
V2GaSn2 | COD | 9007790 | Cmce (64) | ✔ | 20 | 268 | 3 | 0.0 | 0.011 | 0.208 | (1;110) | ✗ | 22/03/17 |
K4Br2O | COD | 9007797 | Fmmm (69) | ✔ | 7 | 56 | 1 | 0.7286 | 0.729 | 0.000 | (0;000) | ✗ | 27/01/17 |
RbNaS | COD | 9007814 | P4/nmm (129) | ✔ | 6 | 48 | 1 | 2.3693 | 2.442 | 0.000 | (0;000) | ✗ | 27/01/17 |
TaS2 | COD | 9007815 | P6_3/mmc (194) | ✔ | 6 | 50 | 2 | 0.0 | 0.000 | 0.863 | (1;000) | ✗ | 27/01/17 |
Pb(ClO)2 | COD | 9007817 | Ccce (68) | ✔ | 20 | 160 | 3 | 0.0 | 0.039 | 0.192 | (0;000) | ✗ | 02/02/17 |
AgClO2 | COD | 9007819 | Pcca (54) | ✔ | 16 | 120 | 2 | 0.7885 | 1.065 | 0.000 | (0;000) | ✗ | 30/01/17 |
YAlGe | COD | 9007848 | Cmcm (63) | ✔ | 6 | 36 | 3 | 0.0 | 0.021 | 0.319 | (0;110) | ✗ | 05/01/17 |
Cu(HO)2 | COD | 9007849 | Cmc2_1 (36) | ✗ | 10 | 50 | 2 | 0.0 | 0.000 | 0.982 | ? | ✗ | 15/02/17 |
AgC2N3 | COD | 9007855 | Pnma (62) | ✔ | 24 | 136 | 3 | 3.3948 | 3.569 | 0.000 | (0;000) | ✗ | 04/08/17 |
Cd(AsO3)2 | COD | 9007893 | P-31m (162) | ✔ | 9 | 58 | 3 | 2.5174 | 2.843 | 0.000 | (0;000) | ✗ | 05/01/17 |
Cd2As2O7 | COD | 9007896 | C2/m (12) | ✔ | 11 | 76 | 3 | 2.0721 | 2.542 | 0.000 | (0;000) | ✗ | 05/01/17 |
PbIF | COD | 9007903 | P4/nmm (129) | ✔ | 6 | 56 | 2 | 1.4024 | 1.402 | 0.000 | (0;000) | ✗ | 22/03/17 |
PbCl4 | COD | 9007926 | C2/c (15) | ✔ | 10 | 84 | 1 | 2.1044 | 2.104 | 0.000 | (0;000) | ✗ | 02/02/17 |
TiCl4 | COD | 9007929 | P2_1/c (14) | ✔ | 20 | 160 | 1 | 3.374 | 3.414 | 0.000 | (0;000) | ✗ | 07/08/17 |
Na2SeO3 | COD | 9007931 | P2_1/c (14) | ✔ | 24 | 168 | 1 | 4.4238 | 4.459 | 0.000 | (0;000) | ✗ | 04/08/17 |
Na3YCl6 | COD | 9007973 | P2_1/c (14) | ✔ | 20 | 160 | 1 | 5.2619 | 5.281 | 0.000 | (0;000) | ✗ | 02/02/17 |
LiV2O4 | COD | 9007993 | Fd-3m (227) | ✔ | 14 | 106 | 3 | 0.0 | 0.000 | 0.716 | (0;000) | ✗ | 27/01/17 |
Ca(ClO)2 | COD | 9008001 | Ccce (68) | ✔ | 20 | 144 | 1 | 0.0 | 0.021 | 0.172 | (1;000) | ✗ | 02/02/17 |
Sr(ClO)2 | COD | 9008002 | Ccce (68) | ✔ | 20 | 144 | 1 | 0.0 | 0.010 | 0.435 | (0;110) | ✗ | 02/02/17 |
Sc2Te3 | COD | 9008008 | Fddd (70) | ✔ | 20 | 160 | 3 | 0.0 | 0.006 | 0.217 | (1;111) | ✗ | 29/03/17 |
NiBr2 | COD | 9008013 | R-3m (166) | ✔ | 3 | 24 | 2 | 0.0 | 0.031 | 0.538 | (0;000) | ✗ | 27/01/17 |
CuN2(Cl2O)2 | COD | 9008016 | P4_2/mnm (136) | ✔ | 18 | 122 | 1 | 0.0 | 0.000 | 0.859 | (0;110) | ✗ | 02/02/17 |
SNO4 | COD | 9008019 | P2_1/c (14) | ✔ | 24 | 140 | 1 | 0.0 | 0.006 | 0.322 | (0;000) | ✗ | 04/08/17 |
CsSO4 | COD | 9008020 | P2_1/c (14) | ✔ | 24 | 156 | 1 | 1.4623 | 1.462 | 0.000 | (0;000) | ✗ | 04/08/17 |
Si(NF3)2 | COD | 9008033 | P-3m1 (164) | ✔ | 9 | 56 | 1 | 0.0 | 0.000 | 0.137 | (0;000) | ✗ | 27/01/17 |
Bi2Te2S | COD | 9008043 | R-3m (166) | ✔ | 5 | 48 | 2 | 0.2724 | 0.346 | 0.000 | (1;000) | ✗ | 05/01/17 |
MnS2 | COD | 9008044 | Pa3 (205) | ✔ | 12 | 108 | 3 | 0.0 | 0.000 | 0.709 | (0;111) | ✗ | 02/02/17 |
HgCl2 | COD | 9008046 | Pbam (55) | ✔ | 12 | 104 | 3 | 0.0 | 0.078 | 0.630 | (1;000) | ✗ | 27/01/17 |
Hg(NCl)2 | COD | 9008060 | Cmmm (65) | ✔ | 5 | 36 | 2 | 0.0 | 0.000 | 0.623 | (0;001) | ✗ | 27/01/17 |
CuAgSe | COD | 9008069 | Pmmn (59) | ✔ | 6 | 56 | 3 | 0.0 | 0.058 | 0.080 | (1;000) | ✗ | 05/01/17 |
Ti2O3 | COD | 9008082 | R-3c (167) | ✔ | 10 | 84 | 3 | 0.0 | 0.006 | 0.366 | (1;000) | ✗ | 27/01/17 |
BiPO4 | COD | 9008088 | P3_121 (152) | ✗ | 18 | 132 | 3 | 3.0778 | 3.125 | 0.000 | (0;000) | ✗ | 21/03/17 |
SnSO4 | COD | 9008091 | Pnma (62) | ✔ | 24 | 176 | 3 | 3.7757 | 4.002 | 0.000 | (0;000) | ✗ | 04/08/17 |
AsI3 | COD | 9008098 | R-3 (148) | ✔ | 8 | 52 | 1 | 1.9735 | 2.033 | 0.000 | (0;000) | ✗ | 30/01/17 |
SrSO4 | COD | 9008106 | Pnma (62) | ✔ | 24 | 160 | 1 | 5.7899 | 5.868 | 0.000 | (0;000) | ✗ | 04/08/17 |
V2Ga5 | COD | 9008112 | P4/mbm (127) | ✔ | 14 | 182 | 3 | 0.0 | 0.000 | 0.896 | (1;111) | ✗ | 02/02/17 |
TeO2 | COD | 9008125 | Pbca (61) | ✔ | 24 | 144 | 2 | 2.2733 | 2.346 | 0.000 | (0;000) | ✗ | 04/08/17 |
Li4GeO4 | COD | 9008154 | Cmcm (63) | ✔ | 18 | 80 | 1 | 4.4557 | 4.456 | 0.000 | (0;000) | ✗ | 27/01/17 |
HgI2 | COD | 9008155 | I4_1/amd (141) | ✔ | 24 | 208 | 3 | 1.2969 | 1.297 | 0.000 | (0;000) | ✗ | 04/08/17 |
SrI2 | COD | 9008163 | Pbca (61) | ✔ | 24 | 192 | 1 | 3.674 | 3.674 | 0.000 | (0;000) | ✗ | 04/08/17 |
AgAsS2 | COD | 9008166 | R-3 (148) | ✔ | 24 | 168 | 3 | 1.3242 | 1.467 | 0.000 | (0;000) | ✗ | 04/08/17 |
SrCO3 | COD | 9008198 | Pnma (62) | ✔ | 20 | 128 | 1 | 4.4705 | 4.482 | 0.000 | (0;000) | ✗ | 02/02/17 |
TiO2 | COD | 9008216 | I4_1/amd (141) | ✔ | 6 | 48 | 3 | 2.1406 | 2.472 | 0.000 | (0;000) | ✗ | 27/01/17 |
SiO2 | COD | 9008231 | Fd-3m (227) | ✔ | 6 | 32 | 3 | 5.6616 | 5.663 | 0.000 | (0;000) | ✗ | 27/01/17 |
HPbClO | COD | 9008250 | Pnma (62) | ✔ | 16 | 112 | 1 | 3.0497 | 3.098 | 0.000 | (0;000) | ✗ | 02/02/17 |
HgPO4 | COD | 9008252 | P2_1/c (14) | ✔ | 24 | 164 | 2 | 0.0 | 0.006 | 0.481 | (1;000) | ✗ | 04/08/17 |
Zn2SiH2O5 | COD | 9008269 | Imm2 (44) | ✗ | 20 | 120 | 3 | 3.3232 | 3.515 | 0.000 | (0;000) | ✗ | 29/03/17 |
GePb3O5 | COD | 9008276 | P2_1 (4) | ✗ | 18 | 152 | 3 | 2.1034 | 2.107 | 0.000 | (0;000) | ✗ | 22/03/17 |
SnS | COD | 9008295 | Cmcm (63) | ✔ | 4 | 40 | 3 | 0.5955 | 0.596 | 0.000 | (0;000) | ✗ | 27/01/17 |
SnSe | COD | 9008296 | Cmcm (63) | ✔ | 4 | 40 | 2 | 0.2641 | 0.265 | 0.000 | (0;000) | ✗ | 27/01/17 |
Cu2Sb | COD | 9008317 | P4/nmm (129) | ✔ | 6 | 54 | 3 | 0.0 | 0.000 | 0.769 | (0;000) | ✗ | 27/01/17 |
MnAlGe | COD | 9008318 | P4/nmm (129) | ✔ | 6 | 44 | 3 | 0.0 | 0.005 | 0.212 | (0;001) | ✗ | 05/01/17 |
MgCuAs | COD | 9008319 | P4/nmm (129) | ✔ | 6 | 52 | 3 | 0.0 | 0.027 | 0.307 | (1;000) | ✗ | 05/01/17 |
Mn2Sb | COD | 9008320 | P4/nmm (129) | ✔ | 6 | 70 | 3 | 0.0 | 0.000 | 0.781 | (1;000) | ✗ | 27/01/17 |
NaMgAs | COD | 9008321 | P4/nmm (129) | ✔ | 6 | 48 | 1 | 0.9367 | 0.937 | 0.000 | (0;000) | ✗ | 05/01/17 |
LiFeP | COD | 9008322 | P4/nmm (129) | ✔ | 6 | 32 | 2 | 0.0 | 0.011 | 0.513 | (1;001) | ✗ | 27/01/17 |
NaMgSb | COD | 9008323 | P4/nmm (129) | ✔ | 6 | 48 | 1 | 0.8715 | 0.964 | 0.000 | (0;000) | ✗ | 27/01/17 |
Mn2As | COD | 9008324 | P4/nmm (129) | ✔ | 6 | 70 | 3 | 0.0 | 0.000 | 0.903 | (1;001) | ✗ | 05/01/17 |
LiBeP | COD | 9008325 | P4/nmm (129) | ✔ | 6 | 24 | 1 | 1.1973 | 1.585 | 0.000 | (0;000) | ✗ | 05/01/17 |
KMgSb | COD | 9008327 | P4/nmm (129) | ✔ | 6 | 48 | 1 | 1.0987 | 1.115 | 0.000 | (0;000) | ✗ | 27/01/17 |
BaMgGe | COD | 9008328 | P4/nmm (129) | ✔ | 6 | 48 | 1 | 0.0 | 0.001 | 0.176 | (1;001) | ✗ | 05/01/17 |
BaMgSi | COD | 9008329 | P4/nmm (129) | ✔ | 6 | 48 | 1 | 0.0 | 0.008 | 0.169 | (1;001) | ✗ | 05/01/17 |
Cr2As | COD | 9008330 | P4/nmm (129) | ✔ | 6 | 66 | 3 | 0.0 | 0.000 | 0.594 | (0;001) | ✗ | 05/01/17 |
ZrVSi | COD | 9008332 | P4/nmm (129) | ✔ | 6 | 42 | 3 | 0.0 | 0.000 | 0.805 | (0;000) | ✗ | 27/01/17 |
TaSiAs | COD | 9008349 | P4/nmm (129) | ✔ | 6 | 44 | 3 | 0.0 | 0.042 | 0.125 | (0;001) | ✗ | 05/01/17 |
ZrSiSe | COD | 9008350 | P4/nmm (129) | ✔ | 6 | 28 | 3 | 0.0 | 0.018 | 0.063 | (0;001) | ✗ | 27/01/17 |
Ca2As | COD | 9008351 | I4/mmm (139) | ✔ | 6 | 50 | 1 | 0.0 | 0.008 | 0.092 | (0;000) | ✗ | 05/01/17 |
Ba2As | COD | 9008352 | I4/mmm (139) | ✔ | 6 | 50 | 1 | 0.0 | 0.017 | 0.368 | (0;111) | ✗ | 30/01/17 |
Sr2Sb | COD | 9008353 | I4/mmm (139) | ✔ | 6 | 50 | 1 | 0.0 | 0.013 | 0.055 | (0;111) | ✗ | 02/02/17 |