▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▴ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
In2Ir | ICSD | 639818 | Fddd (70) | ✔ | 12 | 172 | 3 | 0.0 | 0.025 | 0.494 | (1;111) | ✗ | 02/02/17 |
YSeO3F | ICSD | 251183 | P2_1/m (11) | ✔ | 12 | 84 | 3 | 4.006 | 4.135 | 0.000 | (0;000) | ✗ | 27/01/17 |
FeTeAs | ICSD | 610529 | P2_1/c (14) | ✔ | 12 | 76 | 3 | 0.5659 | 0.631 | 0.000 | (0;000) | ✗ | 30/01/17 |
MnCoGe | ICSD | 52969 | Pnma (62) | ✔ | 12 | 144 | 3 | 0.0 | 0.003 | 0.434 | (0;000) | ✗ | 27/01/17 |
MnInCu4 | ICSD | 424277 | P6_3mc (186) | ✗ | 12 | 144 | 3 | 0.0 | 0.000 | 0.421 | ? | ✗ | 06/10/16 |
SiO2 | ICSD | 153886 | P4_12_12 (92) | ✗ | 12 | 64 | 3 | 5.6311 | 5.636 | 0.000 | (0;000) | ✗ | 06/10/16 |
SrLiAs | COD | 4335613 | Pnma (62) | ✔ | 12 | 72 | 1 | 0.996 | 0.996 | 0.000 | (0;000) | ✗ | 30/01/17 |
Sn2IF3 | ICSD | 2419 | C222_1 (20) | ✗ | 12 | 112 | 1 | 2.2326 | 2.389 | 0.000 | (0;000) | ✗ | 06/10/16 |
HfCuGe | ICSD | 600832 | Pnma (62) | ✔ | 12 | 108 | 3 | 0.0 | 0.001 | 0.367 | (0;011) | ✗ | 27/01/17 |
BaNaBO3 | COD | 2003991 | C2/m (12) | ✔ | 12 | 80 | 1 | 3.8607 | 3.861 | 0.000 | (0;000) | ✗ | 05/01/17 |
YAsPt | ICSD | 44047 | P6_3/mmc (194) | ✔ | 12 | 104 | 3 | 0.0 | 0.006 | 0.460 | (0;000) | ✗ | 30/01/17 |
Mg2BBrN2 | ICSD | 261620 | C2/c (15) | ✔ | 12 | 80 | 3 | 3.4236 | 3.781 | 0.000 | (0;000) | ✗ | 05/01/17 |
NbCoGe | ICSD | 623540 | Pnma (62) | ✔ | 12 | 136 | 3 | 0.0 | 0.021 | 0.106 | (1;000) | ✗ | 27/01/17 |
NbFeO4 | ICSD | 429 | C2 (5) | ✗ | 12 | 90 | 3 | 0.0 | 0.010 | 0.796 | ? | ✗ | 06/10/16 |
CaNi4B | COD | 8103479 | P6/mmm (191) | ✔ | 12 | 106 | 3 | 0.0 | 0.001 | 0.746 | (1;000) | ✗ | 05/01/17 |
LiCdBO3 | ICSD | 200615 | P-1 (2) | ✔ | 12 | 72 | 3 | 2.6621 | 2.727 | 0.000 | (0;000) | ✗ | 05/01/17 |
YFeCo3B | ICSD | 613036 | P6/mmm (191) | ✔ | 12 | 146 | 3 | 0.0 | 0.002 | 0.638 | (1;001) | ✗ | 05/01/17 |
FeSiO4 | ICSD | 186518 | P2_1nm (31) | ✗ | 12 | 72 | 2 | 0.0 | 0.025 | 0.586 | (0;000) | ✔ | 06/10/16 |
Rb2IN3 | ICSD | 202078 | P4/mbm (127) | ✔ | 12 | 80 | 1 | 3.9037 | 3.904 | 0.000 | (0;000) | ✗ | 02/02/17 |
YCo4B | COD | 1511072 | P6/mmm (191) | ✔ | 12 | 164 | 3 | 0.0 | 0.005 | 0.493 | (1;000) | ✗ | 05/01/17 |
CoBMo | COD | 1511054 | Pnma (62) | ✔ | 12 | 136 | 3 | 0.0 | 0.006 | 0.231 | (0;000) | ✗ | 05/01/17 |
CoReB | COD | 1511055 | Pnma (62) | ✔ | 12 | 140 | 3 | 0.0 | 0.001 | 0.512 | (0;011) | ✗ | 05/01/17 |
SiO2 | ICSD | 170510 | I4_122 (98) | ✗ | 12 | 64 | 3 | 5.05 | 5.050 | 0.000 | (0;000) | ✗ | 06/10/16 |
FeSbPt | ICSD | 103606 | P2_13 (198) | ✗ | 12 | 92 | 3 | 0.0 | 0.000 | 0.320 | ? | ✗ | 06/10/16 |
NbI5 | ICSD | 10457 | P-1 (2) | ✔ | 12 | 96 | 1 | 0.0 | 0.048 | 0.113 | (0;111) | ✗ | 06/10/16 |
TeAsRu | ICSD | 611299 | P2_1/c (14) | ✔ | 12 | 108 | 3 | 0.9106 | 1.175 | 0.000 | (0;000) | ✗ | 30/01/17 |
SrIn4Ir | ICSD | 417836 | Pmma (51) | ✔ | 12 | 158 | 3 | 0.0 | 0.000 | 0.869 | (1;100) | ✗ | 02/02/17 |
SrIn4Ni | ICSD | 418178 | Cmcm (63) | ✔ | 12 | 144 | 3 | 0.0 | 0.013 | 0.790 | (0;000) | ✗ | 02/02/17 |
BiSI | ICSD | 25575 | Pnma (62) | ✔ | 12 | 112 | 1 | 0.8593 | 1.045 | 0.000 | (0;000) | ✗ | 02/02/17 |
SrIn4Pd | ICSD | 418179 | Cmcm (63) | ✔ | 12 | 160 | 3 | 0.0 | 0.021 | 0.810 | (1;110) | ✗ | 02/02/17 |
BiSeI | COD | 2010577 | Pnma (62) | ✔ | 12 | 112 | 1 | 0.8997 | 0.935 | 0.000 | (0;000) | ✗ | 02/02/17 |
SrIn4Pt | ICSD | 418180 | Cmcm (63) | ✔ | 12 | 144 | 3 | 0.0 | 0.008 | 0.776 | (1;110) | ✗ | 02/02/17 |
YAsSe | ICSD | 611398 | Pnma (62) | ✔ | 12 | 88 | 3 | 0.0 | 0.067 | 0.005 | (0;000) | ✗ | 30/01/17 |
Be2Cr | ICSD | 616224 | P6_3/mmc (194) | ✔ | 12 | 88 | 3 | 0.0 | 0.005 | 0.232 | (1;000) | ✗ | 05/01/17 |
SiO2 | ICSD | 413210 | Cc (9) | ✗ | 12 | 64 | 3 | 5.8723 | 5.872 | 0.000 | (0;000) | ✗ | 06/10/16 |
Be2Fe | COD | 7221338 | P6_3/mmc (194) | ✔ | 12 | 64 | 3 | 0.0 | 0.002 | 0.583 | (1;000) | ✗ | 05/01/17 |
ScOF | COD | 1525435 | P2_1/c (14) | ✔ | 12 | 96 | 3 | 1.0872 | 1.093 | 0.000 | (0;000) | ✗ | 27/01/17 |
SiO2 | ICSD | 75647 | I-4 (82) | ✗ | 12 | 64 | 3 | 5.8931 | 5.968 | 0.000 | (0;000) | ✗ | 06/10/16 |
MnBe2 | ICSD | 58714 | P6_3/mmc (194) | ✔ | 12 | 92 | 3 | 0.0 | 0.003 | 0.497 | (1;000) | ✗ | 05/01/17 |
Be2Mo | ICSD | 58716 | P6_3/mmc (194) | ✔ | 12 | 88 | 3 | 0.0 | 0.025 | 0.233 | (1;000) | ✗ | 05/01/17 |
Be2Re | ICSD | 58732 | P6_3/mmc (194) | ✔ | 12 | 92 | 3 | 0.0 | 0.012 | 0.565 | (1;000) | ✗ | 05/01/17 |
SrLiBi | ICSD | 58800 | Pnma (62) | ✔ | 12 | 112 | 1 | 0.0791 | 0.079 | 0.000 | (0;000) | ✗ | 02/02/17 |
ZrCuGe | ICSD | 627886 | Pnma (62) | ✔ | 12 | 76 | 3 | 0.0 | 0.001 | 0.475 | (1;011) | ✗ | 27/01/17 |
KIn9Ni2 | COD | 4301695 | P6/mmm (191) | ✔ | 12 | 146 | 3 | 0.0 | 0.019 | 0.709 | (1;001) | ✗ | 02/02/17 |
SiO2 | ICSD | 75651 | P4_32_12 (96) | ✗ | 12 | 64 | 3 | 5.7082 | 5.708 | 0.000 | (0;000) | ✗ | 06/10/16 |
Be2V | ICSD | 58752 | P6_3/mmc (194) | ✔ | 12 | 84 | 3 | 0.0 | 0.004 | 0.370 | (1;000) | ✗ | 05/01/17 |
NbGaO4 | ICSD | 18187 | C2 (5) | ✗ | 12 | 100 | 3 | 3.5733 | 3.781 | 0.000 | (0;000) | ✗ | 06/10/16 |
MgSeO4 | ICSD | 109070 | Cmcm (63) | ✔ | 12 | 80 | 3 | 2.4843 | 2.555 | 0.000 | (0;000) | ✗ | 27/01/17 |
K2NaInP2 | ICSD | 300132 | Ibam (72) | ✔ | 12 | 100 | 1 | 1.1336 | 1.138 | 0.000 | (0;000) | ✗ | 02/02/17 |
K3InP2 | ICSD | 300141 | Ibam (72) | ✔ | 12 | 100 | 1 | 0.8449 | 0.857 | 0.000 | (0;000) | ✗ | 02/02/17 |
GaPO4 | ICSD | 155445 | C222_1 (20) | ✗ | 12 | 84 | 3 | 4.8585 | 4.859 | 0.000 | (0;000) | ✗ | 06/10/16 |
GaPO4 | ICSD | 155446 | C222_1 (20) | ✗ | 12 | 84 | 3 | 5.0653 | 5.065 | 0.000 | (0;000) | ✗ | 06/10/16 |
KAu2 | COD | 2018869 | P6_3/mmc (194) | ✔ | 12 | 124 | 3 | 0.0 | 0.003 | 0.754 | (0;000) | ✗ | 30/01/17 |
GaPO4 | ICSD | 97550 | C222_1 (20) | ✗ | 12 | 84 | 3 | 4.5581 | 4.558 | 0.000 | (0;000) | ✗ | 06/10/16 |
TiCuGe | ICSD | 53283 | Pnma (62) | ✔ | 12 | 108 | 3 | 0.0 | 0.000 | 0.454 | (1;011) | ✗ | 27/01/17 |
SiO2 | ICSD | 75654 | C2/c (15) | ✔ | 12 | 64 | 3 | 5.8229 | 5.859 | 0.000 | (0;000) | ✗ | 06/10/16 |
LiBeN | ICSD | 402341 | P2_1/c (14) | ✔ | 12 | 48 | 1 | 2.7254 | 2.963 | 0.000 | (0;000) | ✗ | 05/01/17 |
MgSO4 | COD | 2300128 | Cmcm (63) | ✔ | 12 | 80 | 3 | 5.931 | 5.983 | 0.000 | (0;000) | ✗ | 27/01/17 |
YAsS | ICSD | 611344 | P2_1/c (14) | ✔ | 12 | 88 | 3 | 0.157 | 0.176 | 0.000 | (0;000) | ✗ | 30/01/17 |
CsK(ClO4)2 | ICSD | 22504 | R-3m (166) | ✔ | 12 | 80 | 1 | 6.1528 | 6.157 | 0.000 | (0;000) | ✗ | 02/02/17 |
SiO2 | ICSD | 75657 | C2 (5) | ✗ | 12 | 64 | 3 | 5.553 | 5.591 | 0.000 | (0;000) | ✗ | 06/10/16 |
Ga5Ni | ICSD | 165723 | I4/mcm (140) | ✔ | 12 | 150 | 3 | 0.0 | 0.001 | 0.474 | (1;000) | ✗ | 27/01/17 |
CoMoO4 | COD | 7205001 | P2/c (13) | ✔ | 12 | 110 | 3 | 0.0 | 0.000 | 0.788 | (1;100) | ✗ | 27/01/17 |
BF2 | COD | 1510681 | P2_1/c (14) | ✔ | 12 | 68 | 1 | 5.0014 | 5.057 | 0.000 | (0;000) | ✗ | 05/01/17 |
Mn2N | ICSD | 42979 | Pbcn (60) | ✔ | 12 | 140 | 3 | 0.0 | 0.000 | 0.541 | (1;101) | ✗ | 27/01/17 |
NaBF4 | COD | 9007507 | Cmcm (63) | ✔ | 12 | 80 | 1 | 8.0382 | 8.254 | 0.000 | (0;000) | ✗ | 05/01/17 |
CsCu2ICl2 | ICSD | 60960 | P2_1/m (11) | ✔ | 12 | 104 | 1 | 1.9838 | 1.984 | 0.000 | (0;000) | ✗ | 02/02/17 |
SiO2 | ICSD | 75665 | Pm (6) | ✗ | 12 | 64 | 3 | 3.8179 | 4.380 | 0.000 | (0;000) | ✗ | 06/10/16 |
VCoGe | ICSD | 623660 | Pnma (62) | ✔ | 12 | 136 | 3 | 0.0 | 0.004 | 0.156 | (1;000) | ✗ | 27/01/17 |
SiO2 | ICSD | 75668 | Pc (7) | ✗ | 12 | 64 | 3 | 3.4494 | 3.876 | 0.000 | (0;000) | ✗ | 06/10/16 |
RbBH4 | COD | 4315653 | P4/nmm (129) | ✔ | 12 | 32 | 1 | 6.0005 | 6.001 | 0.000 | (0;000) | ✗ | 05/01/17 |
MnCuP | ICSD | 72411 | Pnma (62) | ✔ | 12 | 124 | 3 | 0.0 | 0.000 | 0.293 | (1;011) | ✗ | 27/01/17 |
SrInPd | ICSD | 640249 | Pnma (62) | ✔ | 12 | 164 | 3 | 0.0 | 0.000 | 0.885 | (0;011) | ✗ | 02/02/17 |
HgCl2 | COD | 1010620 | Pnma (62) | ✔ | 12 | 104 | 2 | 3.4224 | 3.429 | 0.000 | (0;000) | ✗ | 02/02/17 |
SrInPt | ICSD | 410704 | Pnma (62) | ✔ | 12 | 132 | 3 | 0.0 | 0.002 | 0.840 | (0;011) | ✗ | 02/02/17 |
SiO2 | ICSD | 75669 | P2 (3) | ✗ | 12 | 64 | 3 | 1.7784 | 1.964 | 0.000 | (0;000) | ✗ | 06/10/16 |
Mn2Nb | ICSD | 109268 | P6_3/mmc (194) | ✔ | 12 | 172 | 3 | 0.0 | 0.002 | 0.636 | (0;000) | ✗ | 27/01/17 |
TeO2 | ICSD | 161691 | P4_12_12 (92) | ✗ | 12 | 72 | 3 | 2.4087 | 2.488 | 0.000 | (0;000) | ✗ | 06/10/16 |
MgPd2 | ICSD | 150227 | Pnma (62) | ✔ | 12 | 184 | 3 | 0.0 | 0.003 | 0.397 | (0;000) | ✗ | 27/01/17 |
InSb | ICSD | 156996 | Cmcm (63) | ✔ | 12 | 108 | 3 | 0.0 | 0.031 | 0.869 | (1;000) | ✗ | 02/02/17 |
BaCaPb | ICSD | 615799 | Pnma (62) | ✔ | 12 | 136 | 1 | 0.0423 | 0.082 | 0.000 | (0;000) | ✗ | 02/02/17 |
Cl2O | ICSD | 407768 | I4_1/amd (141) | ✔ | 12 | 80 | 1 | 1.1441 | 1.193 | 0.000 | (0;000) | ✗ | 02/02/17 |
RbTa(PO4)2 | ICSD | 54098 | C2/m (12) | ✔ | 12 | 80 | 2 | 3.5625 | 3.682 | 0.000 | (0;000) | ✗ | 27/01/17 |
PbCl2 | COD | 9009195 | Pnma (62) | ✔ | 12 | 112 | 3 | 3.2349 | 3.329 | 0.000 | (0;000) | ✗ | 02/02/17 |
TeO2 | ICSD | 166847 | P2_1/m (11) | ✔ | 12 | 72 | 3 | 2.4449 | 2.506 | 0.000 | (0;000) | ✗ | 06/10/16 |
Rb2TlAu3 | COD | 4302645 | Pmma (51) | ✔ | 12 | 128 | 3 | 0.0 | 0.089 | 0.281 | (1;000) | ✗ | 30/01/17 |
Na2LiAu3 | ICSD | 152090 | P6_3/mmc (194) | ✔ | 12 | 108 | 3 | 0.0 | 0.029 | 0.398 | (1;000) | ✗ | 30/01/17 |
MgCuP | ICSD | 8221 | Pnma (62) | ✔ | 12 | 104 | 3 | 0.0 | 0.480 | 0.019 | (0;000) | ✗ | 27/01/17 |
TeO2 | ICSD | 62897 | P4_32_12 (96) | ✗ | 12 | 72 | 3 | 2.9657 | 3.040 | 0.000 | (0;000) | ✗ | 06/10/16 |
RbIO4 | COD | 1521183 | I4_1/a (88) | ✔ | 12 | 80 | 1 | 2.9615 | 2.980 | 0.000 | (0;000) | ✗ | 02/02/17 |
TlIO4 | ICSD | 52342 | I4_1/a (88) | ✔ | 12 | 88 | 1 | 1.1834 | 1.470 | 0.000 | (0;000) | ✗ | 02/02/17 |
ScIO | ICSD | 419335 | C2/m (12) | ✔ | 12 | 96 | 2 | 1.8352 | 1.925 | 0.000 | (0;000) | ✗ | 02/02/17 |
TePdI | ICSD | 50987 | P4_2/mmc (131) | ✔ | 12 | 124 | 3 | 0.0 | 0.002 | 0.983 | (1;110) | ✗ | 02/02/17 |
SnCl2 | COD | 2310517 | Pnma (62) | ✔ | 12 | 112 | 1 | 2.9786 | 3.228 | 0.000 | (0;000) | ✗ | 02/02/17 |
MnO2 | ICSD | 20227 | I4/m (87) | ✔ | 12 | 108 | 3 | 0.0 | 0.001 | 0.936 | (1;000) | ✗ | 06/10/16 |
LiCuO | ICSD | 40156 | I4/mmm (139) | ✔ | 12 | 80 | 3 | 1.5296 | 1.711 | 0.000 | (0;000) | ✗ | 27/01/17 |
K3BP2 | COD | 8103458 | C2/c (15) | ✔ | 12 | 80 | 1 | 1.6994 | 2.098 | 0.000 | (0;000) | ✗ | 02/02/17 |
RbAuBr4 | COD | 8103439 | P2_1/c (14) | ✔ | 12 | 96 | 1 | 1.5384 | 1.564 | 0.000 | (0;000) | ✗ | 30/01/17 |
YIr3 | ICSD | 641184 | R-3m (166) | ✔ | 12 | 186 | 3 | 0.0 | 0.002 | 0.599 | (0;000) | ✗ | 02/02/17 |
CuMoO4 | ICSD | 39439 | P-1 (2) | ✔ | 12 | 98 | 3 | 0.0 | 0.027 | 0.324 | (0;110) | ✗ | 27/01/17 |