▹ Formula | ▹ Source | ▴ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Al4C3 | ICSD | 14397 | R3m (160) | ✗ | 7 | 24 | 3 | 0.8906 | 1.617 | 0.000 | (0;000) | ✗ | 06/10/16 |
Al6C3N2 | ICSD | 14399 | R3m (160) | ✗ | 11 | 40 | 3 | 0.0 | 0.001 | 0.475 | (1;000) | ✔ | 06/10/16 |
FeSb2 | ICSD | 15003 | P2nn (34) | ✗ | 6 | 36 | 3 | 0.0 | 0.112 | 0.057 | (0;000) | ✔ | 06/10/16 |
FeS2 | ICSD | 15012 | Pa3 (205) | ✔ | 12 | 80 | 3 | 0.5231 | 0.568 | 0.000 | (0;000) | ✗ | 06/10/16 |
SiPd | ICSD | 15016 | Pmnb (62) | ✔ | 8 | 56 | 3 | 0.0 | 0.016 | 0.394 | (0;000) | ✗ | 06/10/16 |
FeP2 | ICSD | 15027 | Pmnn (58) | ✔ | 6 | 36 | 3 | 0.4006 | 0.861 | 0.000 | (0;000) | ✗ | 06/10/16 |
Fe3Se4 | ICSD | 15043 | C2/m (12) | ✔ | 7 | 48 | 3 | 0.0 | 0.011 | 0.357 | (0;000) | ✔ | 06/10/16 |
CoAs | ICSD | 15065 | P2_1nb (33) | ✗ | 8 | 56 | 3 | 0.0 | 0.020 | 0.375 | (1;000) | ✔ | 06/10/16 |
Bi2O3 | ICSD | 15072 | P2_1/c (14) | ✔ | 20 | 112 | 3 | 2.2283 | 2.259 | 0.000 | (0;000) | ✗ | 06/10/16 |
NaCuO | ICSD | 15099 | I4/m (87) | ✔ | 12 | 104 | 3 | 1.2831 | 1.388 | 0.000 | (0;000) | ✗ | 06/10/16 |
RbCuO | ICSD | 15100 | I4/m (87) | ✔ | 12 | 104 | 2 | 1.3663 | 1.415 | 0.000 | (0;000) | ✗ | 06/10/16 |
Na6PbO5 | ICSD | 15102 | I4mm (107) | ✗ | 12 | 98 | 1 | 1.4651 | 1.529 | 0.000 | (0;000) | ✗ | 07/10/16 |
Rb2Cu(BrCl)2 | ICSD | 15147 | Cmce (64) | ✔ | 14 | 114 | 2 | 0.0 | 0.000 | 0.824 | (0;000) | ✗ | 02/02/17 |
Tl3AsSe3 | ICSD | 15148 | R3m (160) | ✗ | 7 | 62 | 3 | 0.0 | 0.383 | 0.110 | (0;000) | ✔ | 06/10/16 |
Sr(HO)2 | ICSD | 15167 | Pnma (62) | ✔ | 20 | 96 | 1 | 3.9041 | 4.028 | 0.000 | (0;000) | ✗ | 02/02/17 |
ScCuS2 | ICSD | 15298 | P3m1 (156) | ✗ | 4 | 34 | 3 | 0.8732 | 1.546 | 0.000 | (0;000) | ✗ | 06/10/16 |
FeBiO3 | ICSD | 15299 | R3c (161) | ✗ | 10 | 62 | 3 | 0.0 | 0.000 | 0.535 | ? | ✗ | 06/10/16 |
SrH4O3 | ICSD | 15366 | Pmc2_1 (26) | ✗ | 16 | 64 | 1 | 4.5819 | 4.590 | 0.000 | (0;000) | ✗ | 15/02/17 |
Na2SiO3 | ICSD | 15388 | Cmc2_1 (36) | ✗ | 12 | 80 | 1 | 4.0781 | 4.370 | 0.000 | (0;000) | ✗ | 06/10/16 |
NaNO2 | ICSD | 15400 | Imm2 (44) | ✗ | 4 | 26 | 1 | 2.5342 | 2.717 | 0.000 | (0;000) | ✗ | 06/10/16 |
PbO | ICSD | 15402 | Pmab (57) | ✔ | 8 | 80 | 2 | 1.8544 | 2.040 | 0.000 | (0;000) | ✗ | 06/10/16 |
Ti5Te4 | ICSD | 15451 | I4/m (87) | ✔ | 9 | 84 | 3 | 0.0 | 0.002 | 0.609 | (1;111) | ✗ | 06/10/16 |
CrCl2 | ICSD | 15467 | Pmnn (58) | ✔ | 6 | 56 | 1 | 0.0 | 0.015 | 0.396 | (0;000) | ✗ | 06/10/16 |
VCu3S4 | ICSD | 15490 | P-43m (215) | ✗ | 8 | 70 | 3 | 1.0125 | 1.367 | 0.000 | (0;000) | ✗ | 06/10/16 |
K2P2Pd | ICSD | 15584 | Cmcm (63) | ✔ | 10 | 92 | 1 | 1.0553 | 1.099 | 0.000 | (0;000) | ✗ | 02/02/17 |
BH3OF4 | ICSD | 15591 | P-1 (2) | ✔ | 18 | 80 | 1 | 6.1272 | 6.158 | 0.000 | (0;000) | ✗ | 05/01/17 |
BH3 | ICSD | 15598 | P2_1/c (14) | ✔ | 16 | 24 | 1 | 5.9279 | 5.928 | 0.000 | (0;000) | ✗ | 05/01/17 |
Na2MgSiO4 | ICSD | 15619 | Pc (7) | ✗ | 16 | 112 | 3 | 3.9447 | 4.042 | 0.000 | (0;000) | ✗ | 29/03/17 |
CaSi2 | ICSD | 15632 | R-3m (166) | ✔ | 3 | 18 | 2 | 0.0 | 0.054 | 0.217 | (1;111) | ✗ | 27/01/17 |
Zn(InS2)2 | ICSD | 15636 | R3m (160) | ✗ | 7 | 62 | 2 | 0.0 | 0.019 | 0.068 | (1;000) | ✔ | 06/10/16 |
CS2 | ICSD | 15672 | Cmce (64) | ✔ | 6 | 32 | 1 | 0.3788 | 0.877 | 0.000 | (0;000) | ✗ | 06/10/16 |
SiOs | ICSD | 15692 | P2_13 (198) | ✗ | 8 | 80 | 3 | 0.0821 | 0.090 | 0.000 | (0;000) | ✔ | 06/10/16 |
SiIr | ICSD | 15693 | Pmnb (62) | ✔ | 8 | 52 | 3 | 0.0 | 0.001 | 0.343 | (0;011) | ✗ | 06/10/16 |
Li8Pb3 | ICSD | 15694 | R-3m (166) | ✔ | 11 | 66 | 1 | 0.0 | 0.155 | 0.632 | (1;111) | ✔ | 06/10/16 |
ZnS | ICSD | 15740 | P3m1 (156) | ✗ | 20 | 180 | 3 | 2.0771 | 2.077 | 0.000 | (0;000) | ✗ | 29/03/17 |
Bi2Te3 | ICSD | 15753 | R-3m (166) | ✔ | 5 | 28 | 2 | 0.0867 | 0.094 | 0.000 | (1;000) | ✗ | 06/10/16 |
BaNiO3 | ICSD | 15761 | Ccm2_1 (36) | ✗ | 10 | 76 | 1 | 1.009 | 1.179 | 0.000 | (0;000) | ✗ | 06/10/16 |
NaH3CN4O | ICSD | 15874 | Pmma (51) | ✔ | 20 | 84 | 1 | 4.9832 | 4.985 | 0.000 | (0;000) | ✗ | 02/02/17 |
ZnH8(N2Cl)2 | ICSD | 15875 | C2/m (12) | ✔ | 15 | 54 | 2 | 3.8143 | 4.554 | 0.000 | (0;000) | ✗ | 27/01/17 |
Hg(CN)2 | ICSD | 15896 | I-42d (122) | ✗ | 20 | 120 | 3 | 3.9723 | 4.059 | 0.000 | (0;000) | ✗ | 21/03/17 |
Hg | ICSD | 15902 | P2_1/c (14) | ✔ | 6 | 72 | 3 | 1.6952 | 1.722 | 0.000 | (0;000) | ✗ | 02/02/17 |
W | ICSD | 15905 | Pbcm (57) | ✔ | 4 | 56 | 1 | 0.0 | 0.014 | 0.359 | (0;000) | ✗ | 02/02/17 |
AlPS4 | ICSD | 15910 | P222 (16) | ✗ | 12 | 64 | 2 | 1.5836 | 1.670 | 0.000 | (0;000) | ✗ | 06/10/16 |
SrZnO2 | ICSD | 15913 | Pnma (62) | ✔ | 16 | 136 | 3 | 2.1685 | 2.169 | 0.000 | (0;000) | ✗ | 02/02/17 |
ZnCl2 | ICSD | 15916 | I-42d (122) | ✗ | 6 | 52 | 3 | 3.8632 | 3.863 | 0.000 | (0;000) | ✗ | 06/10/16 |
InS | ICSD | 15931 | Pnnm (58) | ✔ | 8 | 76 | 3 | 0.6548 | 1.429 | 0.000 | (0;000) | ✗ | 27/01/17 |
CdAs2 | ICSD | 16037 | I4_122 (98) | ✗ | 6 | 44 | 3 | 0.2887 | 0.909 | 0.000 | (0;000) | ✔ | 06/10/16 |
TlF | ICSD | 16112 | Pma2 (28) | ✗ | 8 | 80 | 2 | 1.4283 | 1.431 | 0.000 | (0;000) | ✗ | 06/10/16 |
K3ReC4(N2O)2 | ICSD | 16121 | P-1 (2) | ✔ | 14 | 90 | 1 | 2.574 | 2.574 | 0.000 | (0;000) | ✗ | 02/02/17 |
WSCl4 | ICSD | 16125 | P-1 (2) | ✔ | 12 | 124 | 1 | 1.6929 | 1.693 | 0.000 | (0;000) | ✗ | 11/04/17 |
SbF3 | ICSD | 16142 | Cc2m (40) | ✗ | 8 | 52 | 3 | 4.4474 | 4.748 | 0.000 | (0;000) | ✗ | 06/10/16 |
Sr2NiTeO6 | ICSD | 16225 | C2/m (12) | ✔ | 10 | 72 | 3 | 0.0 | 0.007 | 0.430 | (0;000) | ✗ | 27/01/17 |
TlO2 | ICSD | 16230 | Pnnm (58) | ✔ | 18 | 150 | 3 | 0.0 | 0.000 | 0.926 | (0;110) | ✗ | 02/02/17 |
FePSe3 | ICSD | 16246 | R3 (146) | ✗ | 10 | 62 | 2 | 0.1664 | 0.212 | 0.000 | (0;000) | ✔ | 06/10/16 |
Cs2NaFeF6 | ICSD | 16255 | R-3m (166) | ✔ | 20 | 154 | 1 | 0.0 | 0.001 | 0.149 | (1;111) | ✗ | 22/03/17 |
F2 | ICSD | 16262 | C2/c (15) | ✔ | 4 | 28 | 1 | 1.3602 | 1.360 | 0.000 | (0;000) | ✗ | 27/01/17 |
NbSe2 | ICSD | 16304 | P6_3/mmc (194) | ✔ | 6 | 50 | 2 | 0.0 | 0.000 | 0.896 | (0;100) | ✔ | 06/10/16 |
ZrSiRu | ICSD | 16306 | P-62m (189) | ✗ | 9 | 72 | 3 | 0.0 | 0.000 | 0.834 | ? | ✗ | 06/10/16 |
BaSe2 | ICSD | 16358 | C2/c (15) | ✔ | 6 | 44 | 1 | 1.009 | 1.076 | 0.000 | (0;000) | ✗ | 06/10/16 |
BaSe3 | ICSD | 16359 | P-42_1m (113) | ✗ | 8 | 56 | 1 | 0.9646 | 1.065 | 0.000 | (0;000) | ✗ | 06/10/16 |
Ba2Mn2Sb2O | ICSD | 16360 | P6_3/mmc (194) | ✔ | 14 | 132 | 2 | 0.0 | 0.008 | 0.838 | (1;000) | ✗ | 02/02/17 |
Ba2Mn2Bi2O | ICSD | 16361 | P6_3/mmc (194) | ✔ | 14 | 172 | 2 | 0.0 | 0.002 | 0.876 | (1;000) | ✗ | 02/02/17 |
Ca3TeO6 | ICSD | 16362 | P2_1/c (14) | ✔ | 20 | 144 | 1 | 3.7915 | 4.049 | 0.000 | (0;000) | ✗ | 02/02/17 |
Rb2LiFeF6 | ICSD | 16400 | R-3m (166) | ✔ | 20 | 142 | 1 | 0.0 | 0.021 | 0.178 | (0;000) | ✗ | 22/03/17 |
Sr4Re2NiO12 | ICSD | 16419 | R-3m (166) | ✔ | 19 | 152 | 1 | 0.0 | 0.029 | 0.040 | (0;000) | ✗ | 02/02/17 |
LiMgSnAu | ICSD | 16477 | F-43m (216) | ✗ | 4 | 38 | 3 | 0.0 | 0.000 | 0.293 | (1;000) | ✔ | 15/02/17 |
MnAs | ICSD | 16543 | Pmnb (62) | ✔ | 8 | 80 | 3 | 0.0 | 0.004 | 0.326 | (1;000) | ✗ | 06/10/16 |
TaTl3S4 | ICSD | 16571 | I-43m (217) | ✗ | 8 | 76 | 1 | 1.8689 | 2.059 | 0.000 | (0;000) | ✗ | 06/10/16 |
Tl3VS4 | ICSD | 16572 | I-43m (217) | ✗ | 8 | 76 | 3 | 1.4009 | 1.401 | 0.000 | (0;000) | ✗ | 06/10/16 |
GeO2 | ICSD | 16577 | P3_221 (154) | ✗ | 9 | 48 | 3 | 3.7257 | 3.809 | 0.000 | (0;000) | ✗ | 06/10/16 |
NbAs | ICSD | 16585 | I4_1md (109) | ✗ | 4 | 36 | 3 | 0.0 | 0.019 | 0.026 | (0;101) | ✔ | 06/10/16 |
NaPH3NO3 | ICSD | 16608 | P6_3 (173) | ✗ | 18 | 80 | 1 | 5.2274 | 5.227 | 0.000 | (0;000) | ✗ | 15/02/17 |
Li2SiO3 | ICSD | 16626 | Ccm2_1 (36) | ✗ | 12 | 56 | 1 | 4.9814 | 5.208 | 0.000 | (0;000) | ✗ | 06/10/16 |
HgO | ICSD | 16627 | Im2m (44) | ✗ | 2 | 18 | 3 | 0.0 | 0.002 | 0.206 | (1;000) | ✔ | 04/10/16 |
P4S5 | ICSD | 16681 | P2_1 (4) | ✗ | 18 | 100 | 1 | 2.3253 | 2.383 | 0.000 | (0;000) | ✗ | 29/03/17 |
ZrGe2 | ICSD | 16696 | Cmcm (63) | ✔ | 6 | 40 | 3 | 0.0 | 0.014 | 0.240 | (1;110) | ✗ | 06/10/16 |
HfSi2 | ICSD | 16697 | Cmcm (63) | ✔ | 6 | 40 | 3 | 0.0 | 0.025 | 0.327 | (1;000) | ✗ | 06/10/16 |
HfGe2 | ICSD | 16698 | Cmcm (63) | ✔ | 6 | 40 | 3 | 0.0 | 0.016 | 0.222 | (1;000) | ✗ | 06/10/16 |
Cr2S3 | ICSD | 16721 | R-3 (148) | ✔ | 10 | 92 | 3 | 0.0 | 0.013 | 0.353 | (1;111) | ✗ | 06/10/16 |
VH2O3 | ICSD | 16727 | C2/c (15) | ✔ | 12 | 66 | 2 | 0.0 | 0.000 | 0.336 | (1;101) | ✗ | 27/01/17 |
ZnGeP2 | ICSD | 16734 | I-42d (122) | ✗ | 8 | 52 | 3 | 1.319 | 1.491 | 0.000 | (0;000) | ✗ | 07/10/16 |
ZnGeAs2 | ICSD | 16735 | I-42d (122) | ✗ | 8 | 52 | 3 | 0.3013 | 0.301 | 0.000 | (0;000) | ✔ | 07/10/16 |
CdGeAs2 | ICSD | 16736 | I-42d (122) | ✗ | 8 | 52 | 3 | 0.0 | 0.051 | 0.027 | (1;000) | ✔ | 15/02/17 |
CdSnAs2 | ICSD | 16737 | I-42d (122) | ✗ | 8 | 72 | 3 | 0.0 | 0.046 | 0.008 | (1;000) | ✔ | 07/10/16 |
ZrSi | ICSD | 16771 | Pmnb (62) | ✔ | 8 | 64 | 3 | 0.0 | 0.016 | 0.194 | (1;000) | ✗ | 06/10/16 |
ZrSi2 | ICSD | 16772 | Cmcm (63) | ✔ | 6 | 40 | 3 | 0.0 | 0.004 | 0.319 | (1;110) | ✗ | 06/10/16 |
Cs2KAgF6 | ICSD | 16783 | Fm-3m (225) | ✔ | 10 | 80 | 3 | 0.0 | 0.000 | 0.534 | (0;000) | ✗ | 05/01/17 |
VS4 | ICSD | 16797 | C2/c (15) | ✔ | 20 | 148 | 2 | 0.6894 | 0.769 | 0.000 | (0;000) | ✗ | 02/02/17 |
Fe2B | ICSD | 16809 | I-42m (121) | ✗ | 6 | 38 | 3 | 0.0 | 0.009 | 0.613 | (0;000) | ✔ | 06/10/16 |
MoAs2 | ICSD | 16820 | C2 (5) | ✗ | 6 | 48 | 3 | 0.0 | 0.044 | 0.308 | (0;000) | ✔ | 06/10/16 |
BeSO4 | ICSD | 16832 | I-4 (82) | ✗ | 6 | 34 | 3 | 6.9194 | 7.081 | 0.000 | (0;000) | ✗ | 06/10/16 |
Na2GeO3 | ICSD | 16833 | Ccm2_1 (36) | ✗ | 12 | 80 | 1 | 2.3556 | 2.502 | 0.000 | (0;000) | ✗ | 06/10/16 |
CuGeO3 | ICSD | 16834 | Pmcm (51) | ✔ | 10 | 66 | 3 | 0.0 | 0.000 | 0.683 | (1;010) | ✗ | 06/10/16 |
CrSi2 | ICSD | 16836 | P6_222 (180) | ✗ | 9 | 66 | 3 | 0.3285 | 0.492 | 0.000 | (0;000) | ✔ | 06/10/16 |
Sb2PbO6 | ICSD | 16852 | P-31m (162) | ✔ | 9 | 60 | 3 | 2.242 | 2.378 | 0.000 | (0;000) | ✗ | 06/10/16 |
Co2C | ICSD | 16895 | Pmnn (58) | ✔ | 6 | 44 | 3 | 0.0 | 0.023 | 0.344 | (0;000) | ✗ | 06/10/16 |
CdSi(CuS2)2 | ICSD | 16924 | Pmn2_1 (31) | ✗ | 16 | 124 | 3 | 0.4888 | 0.489 | 0.000 | (0;000) | ✔ | 26/04/17 |
BaZnF4 | ICSD | 16925 | Ccm2_1 (36) | ✗ | 12 | 100 | 2 | 4.6253 | 4.625 | 0.000 | (0;000) | ✗ | 06/10/16 |
MoSe2 | ICSD | 16948 | R3m (160) | ✗ | 3 | 26 | 0 | 0.8542 | 1.333 | 0.000 | (0;000) | ✗ | 06/10/16 |
SiS2 | ICSD | 16952 | I-42d (122) | ✗ | 6 | 32 | 3 | 2.9532 | 3.090 | 0.000 | (0;000) | ✗ | 06/10/16 |