▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▴ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
VAgO3 | ICSD | 82079 | Cm (8) | ✗ | 20 | 168 | 3 | 1.4813 | 1.493 | 0.000 | (0;000) | ✗ | 16/03/17 |
SrCoO3 | ICSD | 108896 | P2_1/m (11) | ✔ | 20 | 180 | 1 | 0.0 | 0.002 | 0.405 | (1;001) | ✗ | 02/02/17 |
Rb2O3 | ICSD | 647340 | I-43d (220) | ✗ | 20 | 144 | 1 | 0.0 | 0.000 | 0.758 | ? | ✗ | 29/03/17 |
KSb(PSe3)2 | ICSD | 90152 | P2_1 (4) | ✗ | 20 | 120 | 3 | 1.769 | 1.795 | 0.000 | (0;000) | ✗ | 29/03/17 |
RbBSe3 | COD | 1511307 | P2_1/c (14) | ✔ | 20 | 120 | 1 | 1.6861 | 1.918 | 0.000 | (0;000) | ✗ | 02/02/17 |
ZnSiO3 | COD | 9006919 | C2/c (15) | ✔ | 20 | 136 | 3 | 3.765 | 3.845 | 0.000 | (0;000) | ✗ | 02/02/17 |
SrPSe3 | ICSD | 412766 | P2_1/c (14) | ✔ | 20 | 132 | 1 | 2.2293 | 2.229 | 0.000 | (0;000) | ✗ | 02/02/17 |
CsTeSe3 | ICSD | 84993 | P2_1/c (14) | ✔ | 20 | 132 | 3 | 0.9985 | 1.018 | 0.000 | (0;000) | ✗ | 02/02/17 |
Bi4I | ICSD | 246145 | C2/m (12) | ✔ | 20 | 108 | 3 | 0.0 | 0.059 | 0.855 | (1;001) | ✗ | 06/10/16 |
RbBS3 | COD | 1511306 | P2_1/c (14) | ✔ | 20 | 120 | 1 | 2.3694 | 2.627 | 0.000 | (0;000) | ✗ | 02/02/17 |
Zr9Pt11 | COD | 1522663 | I4/m (87) | ✔ | 20 | 146 | 3 | 0.0 | 0.002 | 0.376 | (0;111) | ✗ | 02/02/17 |
ZnSeO3 | ICSD | 163221 | Pnma (62) | ✔ | 20 | 144 | 3 | 3.1331 | 3.445 | 0.000 | (0;000) | ✗ | 29/03/17 |
Ag5SbS4 | COD | 9013429 | Cmc2_1 (36) | ✗ | 20 | 168 | 3 | 0.6855 | 0.723 | 0.000 | (0;000) | ✗ | 16/03/17 |
CsTe4 | ICSD | 47182 | P2_1/c (14) | ✔ | 20 | 132 | 3 | 0.4746 | 0.475 | 0.000 | (0;000) | ✗ | 02/02/17 |
Y2MnCoO6 | ICSD | 188982 | P2_1/c (14) | ✔ | 20 | 180 | 3 | 0.0 | 0.028 | 0.093 | (0;000) | ✗ | 02/02/17 |
Sr7Ag3 | ICSD | 605879 | P6_3mc (186) | ✗ | 20 | 206 | 1 | 0.0 | 0.000 | 0.879 | ? | ✗ | 16/03/17 |
Li(CuO)2 | ICSD | 71683 | Pnma (62) | ✔ | 20 | 148 | 3 | 0.0 | 0.000 | 0.909 | (1;011) | ✗ | 02/02/17 |
Ag9Ge2IO8 | ICSD | 380303 | C2/m (12) | ✔ | 20 | 162 | 3 | 0.0 | 0.035 | 0.118 | (0;000) | ✗ | 16/03/17 |
CuH6BrN2 | COD | 7104068 | C2/c (15) | ✔ | 20 | 68 | 1 | 2.3525 | 2.353 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ba(ZnSb)2 | ICSD | 32020 | Pnma (62) | ✔ | 20 | 176 | 3 | 0.0 | 0.015 | 0.060 | (0;000) | ✗ | 02/02/17 |
Cd3TeO6 | ICSD | 35084 | P2_1/c (14) | ✔ | 20 | 156 | 3 | 0.8176 | 0.818 | 0.000 | (0;000) | ✗ | 02/02/17 |
Rh2O3 | ICSD | 181830 | Pbcn (60) | ✔ | 20 | 208 | 3 | 0.71 | 0.724 | 0.000 | (0;000) | ✗ | 29/03/17 |
LiH2BrO | ICSD | 391154 | Cmcm (63) | ✔ | 20 | 72 | 1 | 4.4428 | 4.473 | 0.000 | (0;000) | ✗ | 02/02/17 |
Si3O7 | COD | 4124117 | P1 (1) | ✗ | 20 | 108 | 1 | 2.3654 | 0.031 | 1.000 | (0;000) | ✗ | 29/03/17 |
CoSeO3 | ICSD | 155489 | Pnma (62) | ✔ | 20 | 164 | 3 | 0.0 | 0.000 | 0.663 | (0;110) | ✗ | 02/02/17 |
Cr4AgBiO14 | ICSD | 14234 | I4 (79) | ✗ | 20 | 166 | 3 | 1.9671 | 1.972 | 0.000 | (0;000) | ✗ | 16/03/17 |
CuSe3Br | COD | 1524480 | Pmna (53) | ✔ | 20 | 144 | 3 | 0.8867 | 1.006 | 0.000 | (0;000) | ✗ | 02/02/17 |
ZnSiO3 | COD | 2106565 | C2/c (15) | ✔ | 20 | 136 | 3 | 3.6364 | 3.782 | 0.000 | (0;000) | ✗ | 02/02/17 |
CsAg(NO3)2 | COD | 2008257 | C2/m (12) | ✔ | 20 | 132 | 1 | 2.7484 | 2.769 | 0.000 | (0;000) | ✗ | 16/03/17 |
Na(CuO)2 | COD | 2002542 | Pnma (62) | ✔ | 20 | 172 | 3 | 0.0 | 0.000 | 0.797 | (1;011) | ✗ | 02/02/17 |
CrAg(PS3)2 | COD | 1000192 | P2/c (13) | ✔ | 20 | 142 | 2 | 0.0 | 0.000 | 0.260 | (0;000) | ✗ | 16/03/17 |
SrSeO3 | ICSD | 419386 | Pnma (62) | ✔ | 20 | 136 | 1 | 4.0455 | 4.122 | 0.000 | (0;000) | ✗ | 02/02/17 |
SbBr(OF3)2 | COD | 4305989 | P2/c (13) | ✔ | 20 | 132 | 1 | 1.9693 | 1.994 | 0.000 | (0;000) | ✗ | 02/02/17 |
NaCu3(RuO3)4 | ICSD | 51893 | Im3 (204) | ✔ | 20 | 178 | 3 | 0.0 | 0.016 | 0.700 | (0;111) | ✗ | 02/02/17 |
VP2O7 | COD | 1530205 | I-42d (122) | ✗ | 20 | 130 | 3 | 0.0 | 0.000 | 0.889 | ? | ✗ | 29/03/17 |
VP2O7 | COD | 1526398 | P2_1 (4) | ✗ | 20 | 130 | 3 | 0.0 | 0.001 | 0.537 | ? | ✗ | 29/03/17 |
SiP2O7 | ICSD | 75116 | P6_3 (173) | ✗ | 20 | 112 | 3 | 5.2461 | 5.246 | 0.000 | (0;000) | ✗ | 29/03/17 |
ZnP4 | ICSD | 40428 | P4_12_12 (92) | ✗ | 20 | 128 | 3 | 0.6427 | 0.857 | 0.000 | (0;000) | ✗ | 29/03/17 |
Te2SO7 | ICSD | 28468 | Pmn2_1 (31) | ✗ | 20 | 120 | 3 | 2.0951 | 2.120 | 0.000 | (0;000) | ✗ | 29/03/17 |
NaB(CN)4 | COD | 4308585 | Fd-3m (227) | ✔ | 20 | 96 | 1 | 6.8589 | 6.878 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ba7Al4Ge9 | ICSD | 417660 | Fmm2 (42) | ✗ | 20 | 118 | 1 | 0.0 | 0.011 | 0.418 | ? | ✗ | 16/03/17 |
Fe2O3 | ICSD | 96077 | Pbcn (60) | ✔ | 20 | 136 | 3 | 0.0 | 0.001 | 0.415 | (0;000) | ✗ | 27/01/17 |
Tl2Pt3 | COD | 1523249 | P6_3/mmc (194) | ✔ | 20 | 224 | 3 | 0.0 | 0.011 | 0.227 | (0;000) | ✗ | 02/02/17 |
Sr2CoTeO6 | ICSD | 153002 | P2_1/c (14) | ✔ | 20 | 158 | 3 | 0.0 | 0.000 | 0.898 | (0;101) | ✗ | 02/02/17 |
NaCuF3 | ICSD | 69655 | P-1 (2) | ✔ | 20 | 164 | 3 | 0.0 | 0.014 | 0.583 | (1;101) | ✗ | 02/02/17 |
Sc3P2 | ICSD | 41679 | Pnma (62) | ✔ | 20 | 172 | 3 | 0.0 | 0.000 | 0.772 | (0;011) | ✗ | 29/03/17 |
Te2SO7 | COD | 7035628 | Pmn2_1 (31) | ✗ | 20 | 120 | 3 | 3.4249 | 3.454 | 0.000 | (0;000) | ✗ | 29/03/17 |
Sc7BCl12 | COD | 1511042 | R-3 (148) | ✔ | 20 | 164 | 3 | 0.0 | 0.000 | 0.743 | (0;000) | ✗ | 02/02/17 |
Te2SO7 | ICSD | 643 | Pmn2_1 (31) | ✗ | 20 | 120 | 3 | 2.3945 | 2.421 | 0.000 | (0;000) | ✗ | 29/03/17 |
Sc3P2 | ICSD | 41678 | Pnma (62) | ✔ | 20 | 172 | 3 | 0.0 | 0.000 | 0.778 | (0;011) | ✗ | 29/03/17 |
CuGeO3 | ICSD | 411020 | P2_1/c (14) | ✔ | 20 | 132 | 3 | 0.0 | 0.016 | 0.016 | (0;010) | ✗ | 02/02/17 |
Sc7P3 | ICSD | 648099 | P6_3mc (186) | ✗ | 20 | 184 | 3 | 0.0 | 0.000 | 0.821 | ? | ✗ | 29/03/17 |
AlAu4 | COD | 1523317 | P2_13 (198) | ✗ | 20 | 188 | 3 | 0.0 | 0.000 | 0.569 | ? | ✗ | 16/03/17 |
P3Pd7 | ICSD | 200055 | R3 (146) | ✗ | 20 | 282 | 3 | 0.0 | 0.002 | 0.843 | ? | ✗ | 29/03/17 |
SrSi | ICSD | 42140 | Immm (71) | ✔ | 20 | 140 | 1 | 0.0 | 0.004 | 0.379 | (0;000) | ✗ | 02/02/17 |
PH6NO2 | COD | 4308329 | Cmme (67) | ✔ | 20 | 56 | 1 | 5.1799 | 5.180 | 0.000 | (0;000) | ✗ | 27/01/17 |
Bi2O3 | ICSD | 168812 | P-42_1c (114) | ✗ | 20 | 112 | 3 | 1.4533 | 1.453 | 0.000 | (0;000) | ✗ | 06/10/16 |
MnTlI3 | ICSD | 26421 | Pnma (62) | ✔ | 20 | 196 | 2 | 0.0 | 0.000 | 0.258 | (0;011) | ✗ | 29/03/17 |
CsAlTe3 | ICSD | 300180 | P2_1/c (14) | ✔ | 20 | 120 | 1 | 1.2933 | 1.511 | 0.000 | (0;000) | ✗ | 16/03/17 |
Na5Zr2F13 | COD | 2310402 | C2/m (12) | ✔ | 20 | 144 | 2 | 4.616 | 4.616 | 0.000 | (0;000) | ✗ | 02/02/17 |
SiH4 | ICSD | 159307 | P2_1/c (14) | ✔ | 20 | 32 | 2 | 2.7828 | 2.791 | 0.000 | (0;000) | ✗ | 27/01/17 |
Li4H5Rh | ICSD | 26225 | Cmcm (63) | ✔ | 20 | 68 | 1 | 0.0 | 0.040 | 0.723 | (0;110) | ✗ | 27/01/17 |
H5SeNO3 | COD | 2208335 | P-1 (2) | ✔ | 20 | 68 | 1 | 4.7987 | 4.863 | 0.000 | (0;000) | ✗ | 27/01/17 |
NiSeO3 | ICSD | 190004 | Pnma (62) | ✔ | 20 | 136 | 3 | 0.0 | 0.003 | 0.066 | (0;000) | ✗ | 02/02/17 |
Rh2S3 | COD | 9007492 | Pbcn (60) | ✔ | 20 | 208 | 3 | 0.3041 | 0.310 | 0.000 | (0;000) | ✗ | 02/02/17 |
Cs6AlSb3 | ICSD | 300128 | P2_1/m (11) | ✔ | 20 | 144 | 1 | 0.8041 | 0.922 | 0.000 | (0;000) | ✗ | 16/03/17 |
Bi2O3 | ICSD | 169685 | P31c (159) | ✗ | 20 | 112 | 3 | 1.2724 | 1.273 | 0.000 | (0;000) | ✗ | 06/10/16 |
Ta2PtSe7 | ICSD | 61353 | C2/m (12) | ✔ | 20 | 156 | 2 | 0.0 | 0.012 | 0.258 | (1;000) | ✗ | 02/02/17 |
InCu(PSe3)2 | ICSD | 71969 | P-31c (163) | ✔ | 20 | 140 | 2 | 0.3908 | 0.423 | 0.000 | (0;000) | ✗ | 02/02/17 |
Cs2NaAlF6 | ICSD | 200305 | R-3m (166) | ✔ | 20 | 144 | 1 | 7.1303 | 7.161 | 0.000 | (0;000) | ✗ | 16/03/17 |
MnSbSe2Br | ICSD | 172784 | Pnma (62) | ✔ | 20 | 156 | 3 | 0.0 | 0.000 | 0.378 | (1;011) | ✗ | 02/02/17 |
SrTeO3 | ICSD | 182023 | P2_1/c (14) | ✔ | 20 | 136 | 1 | 3.4504 | 3.491 | 0.000 | (0;000) | ✗ | 02/02/17 |
AlCu4 | ICSD | 606887 | P2_13 (198) | ✗ | 20 | 188 | 3 | 0.0 | 0.000 | 0.605 | ? | ✗ | 16/03/17 |
PC2N3Cl4 | ICSD | 81344 | Cmcm (63) | ✔ | 20 | 112 | 1 | 3.7138 | 3.728 | 0.000 | (0;000) | ✗ | 02/02/17 |
K2LiAlF6 | ICSD | 48149 | R-3m (166) | ✔ | 20 | 132 | 1 | 7.5678 | 7.568 | 0.000 | (0;000) | ✗ | 16/03/17 |
Y7Pt3 | ICSD | 649860 | P6_3mc (186) | ✗ | 20 | 214 | 3 | 0.0 | 0.000 | 0.521 | ? | ✗ | 29/03/17 |
LiAl(PS3)2 | ICSD | 425979 | C2/c (15) | ✔ | 20 | 104 | 2 | 2.6621 | 2.809 | 0.000 | (0;000) | ✗ | 16/03/17 |
SrZrO3 | COD | 1528398 | Pnma (62) | ✔ | 20 | 128 | 3 | 3.1899 | 3.190 | 0.000 | (0;000) | ✗ | 02/02/17 |
Na5Zr2F13 | ICSD | 155759 | C2/m (12) | ✔ | 20 | 144 | 1 | 6.3223 | 6.350 | 0.000 | (0;000) | ✗ | 02/02/17 |
LiAl(SiO3)2 | COD | 9003102 | P1 (1) | ✗ | 20 | 100 | 3 | 4.6075 | 4.626 | 0.000 | (0;000) | ✗ | 16/03/17 |
NaAl(PS3)2 | ICSD | 425980 | Fdd2 (43) | ✗ | 20 | 116 | 3 | 2.6585 | 2.694 | 0.000 | (0;000) | ✗ | 16/03/17 |
BaCa(CO3)2 | COD | 9013465 | P2_1/m (11) | ✔ | 20 | 128 | 1 | 4.8058 | 4.848 | 0.000 | (0;000) | ✗ | 02/02/17 |
Bi2O3 | ICSD | 422451 | P6_3mc (186) | ✗ | 20 | 112 | 3 | 1.424 | 1.583 | 0.000 | (0;000) | ✗ | 06/10/16 |
TlBS3 | COD | 1511322 | P2_1/c (14) | ✔ | 20 | 136 | 1 | 1.5675 | 1.727 | 0.000 | (0;000) | ✗ | 02/02/17 |
NbCuO3 | COD | 1530352 | C2/m (12) | ✔ | 20 | 168 | 3 | 1.2247 | 1.263 | 0.000 | (0;000) | ✗ | 02/02/17 |
SrCu(SeO3)2 | ICSD | 202389 | C2/c (15) | ✔ | 20 | 138 | 2 | 0.0 | 0.001 | 0.987 | (1;011) | ✗ | 02/02/17 |
CuTeO3 | ICSD | 29338 | Pnma (62) | ✔ | 20 | 140 | 3 | 0.0 | 0.001 | 0.347 | (0;110) | ✗ | 02/02/17 |
CuSeO3 | ICSD | 97747 | Pnma (62) | ✔ | 20 | 140 | 3 | 0.0 | 0.000 | 0.479 | (0;110) | ✗ | 02/02/17 |
CuTeO3 | COD | 1530570 | P2_1/c (14) | ✔ | 20 | 140 | 3 | 0.0 | 0.011 | 0.099 | (1;000) | ✗ | 02/02/17 |
NaCr(SiO3)2 | COD | 9003052 | C2/c (15) | ✔ | 20 | 134 | 3 | 0.0 | 0.000 | 0.370 | (1;101) | ✗ | 27/01/17 |
Rb2Te3 | COD | 1520875 | Pnma (62) | ✔ | 20 | 144 | 1 | 0.6435 | 0.755 | 0.000 | (0;000) | ✗ | 02/02/17 |
TaCuS3 | ICSD | 62537 | Pnma (62) | ✔ | 20 | 168 | 3 | 0.4313 | 0.442 | 0.000 | (0;000) | ✗ | 02/02/17 |
YVO3 | COD | 1531189 | Pnma (62) | ✔ | 20 | 168 | 3 | 0.0 | 0.009 | 0.476 | (0;000) | ✗ | 02/02/17 |
Hf3As2 | ICSD | 610637 | Pnma (62) | ✔ | 20 | 184 | 3 | 0.0 | 0.010 | 0.418 | (1;000) | ✗ | 21/03/17 |
Mn3As2 | ICSD | 73251 | Cmc2_1 (36) | ✗ | 20 | 220 | 3 | 0.0 | 0.000 | 0.809 | ? | ✗ | 21/03/17 |
LiBC2(O2F)2 | ICSD | 185384 | Cmcm (63) | ✔ | 20 | 104 | 1 | 3.7651 | 3.918 | 0.000 | (0;000) | ✗ | 02/02/17 |
Sn4Rh | ICSD | 174219 | I4_1/acd (142) | ✔ | 20 | 292 | 3 | 0.0 | 0.001 | 0.550 | (1;111) | ✗ | 29/03/17 |
V3As2 | COD | 1529103 | P4/m (83) | ✔ | 20 | 196 | 3 | 0.0 | 0.000 | 0.706 | (1;110) | ✗ | 21/03/17 |
CsBSe3 | COD | 1511083 | P2_1/c (14) | ✔ | 20 | 120 | 1 | 1.7859 | 1.948 | 0.000 | (0;000) | ✗ | 02/02/17 |
Na5Hf2F13 | COD | 4331657 | C2/m (12) | ✔ | 20 | 160 | 1 | 6.7605 | 6.779 | 0.000 | (0;000) | ✗ | 02/02/17 |