▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▴ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Rb2CrF6 | ICSD | 29006 | Fm-3m (225) | ✔ | 9 | 74 | 1 | 0.0 | 0.000 | 0.051 | (0;000) | ✗ | 27/01/17 |
FeI2 | COD | 9009103 | P-3m1 (164) | ✔ | 3 | 22 | 2 | 0.257 | 0.282 | 0.000 | (0;000) | ✗ | 22/03/17 |
Na2CrF4 | ICSD | 67250 | P2_1/c (14) | ✔ | 14 | 120 | 1 | 0.0 | 0.028 | 0.444 | (0;000) | ✗ | 27/01/17 |
KCrF3 | ICSD | 27690 | P4/mmm (123) | ✔ | 5 | 44 | 3 | 0.0 | 0.036 | 0.796 | (0;000) | ✗ | 27/01/17 |
MnFeP | ICSD | 632538 | Pnma (62) | ✔ | 12 | 112 | 3 | 0.0 | 0.008 | 0.164 | (1;000) | ✗ | 22/03/17 |
Bi2Se3 | ICSD | 60205 | Pmcn (62) | ✔ | 20 | 112 | 2 | 0.5886 | 0.597 | 0.000 | (0;000) | ✗ | 06/10/16 |
MnAlF5 | COD | 1000348 | Cmcm (63) | ✔ | 14 | 106 | 3 | 0.0 | 0.000 | 0.396 | (0;000) | ✗ | 05/01/17 |
NaAlH8(NF3)2 | COD | 2210090 | Fm-3m (225) | ✔ | 18 | 72 | 1 | 6.9624 | 6.962 | 0.000 | (0;000) | ✗ | 05/01/17 |
CrF2 | COD | 9009095 | P2_1/c (14) | ✔ | 6 | 56 | 3 | 0.0 | 0.023 | 0.454 | (0;000) | ✗ | 27/01/17 |
K2LiAlF6 | ICSD | 408553 | Fm-3m (225) | ✔ | 10 | 66 | 1 | 7.8621 | 7.862 | 0.000 | (0;000) | ✗ | 05/01/17 |
Ti2FeO5 | COD | 2002318 | Cmcm (63) | ✔ | 16 | 124 | 3 | 0.0 | 0.006 | 0.214 | (1;000) | ✗ | 22/03/17 |
K2NaAlF6 | COD | 9009341 | Fm-3m (225) | ✔ | 10 | 72 | 1 | 7.1867 | 7.187 | 0.000 | (0;000) | ✗ | 05/01/17 |
CrF3 | COD | 2102656 | R-3c (167) | ✔ | 8 | 70 | 3 | 0.0 | 0.000 | 0.416 | (0;000) | ✗ | 27/01/17 |
Bi2Te3 | ICSD | 15753 | R-3m (166) | ✔ | 5 | 28 | 2 | 0.0867 | 0.094 | 0.000 | (1;000) | ✗ | 06/10/16 |
K3AlF6 | ICSD | 262078 | Fm-3m (225) | ✔ | 10 | 72 | 3 | 6.4532 | 6.453 | 0.000 | (0;000) | ✗ | 05/01/17 |
LiAlPdF6 | ICSD | 73132 | P-31c (163) | ✔ | 18 | 132 | 3 | 0.0 | 0.002 | 0.052 | (0;000) | ✗ | 05/01/17 |
KCrF3 | COD | 4124105 | P4/mmm (123) | ✔ | 5 | 44 | 3 | 0.0 | 0.036 | 0.798 | (0;000) | ✗ | 27/01/17 |
PbIF | COD | 9007903 | P4/nmm (129) | ✔ | 6 | 56 | 2 | 1.4024 | 1.402 | 0.000 | (0;000) | ✗ | 22/03/17 |
LiVPO4F | ICSD | 184601 | P-1 (2) | ✔ | 16 | 104 | 3 | 0.0 | 0.004 | 0.701 | (0;000) | ✗ | 22/03/17 |
Nb5Ga13 | COD | 1522507 | Cmmm (65) | ✔ | 18 | 234 | 3 | 0.0 | 0.004 | 0.957 | (0;111) | ✗ | 22/03/17 |
Al(NF2)3 | COD | 9015240 | Fm-3m (225) | ✔ | 10 | 60 | 1 | 0.0 | 0.002 | 0.394 | (1;000) | ✗ | 05/01/17 |
Na3AlF6 | COD | 9012285 | Fm-3m (225) | ✔ | 10 | 72 | 1 | 5.8614 | 5.861 | 0.000 | (0;000) | ✗ | 05/01/17 |
CrMoF6 | ICSD | 50507 | P-1 (2) | ✔ | 8 | 70 | 3 | 0.0 | 0.034 | 0.023 | (0;000) | ✗ | 27/01/17 |
TiGa2 | ICSD | 635561 | I4_1/amd (141) | ✔ | 12 | 152 | 3 | 0.0 | 0.005 | 0.600 | (1;111) | ✗ | 22/03/17 |
MnCrF5 | COD | 1000158 | C2/c (15) | ✔ | 14 | 128 | 3 | 0.0 | 0.024 | 0.250 | (0;110) | ✗ | 27/01/17 |
ZrBi2 | ICSD | 42880 | Pmnn (58) | ✔ | 24 | 112 | 3 | 0.0 | 0.026 | 0.279 | (0;000) | ✗ | 06/10/16 |
Rb2NaAlF6 | ICSD | 290318 | Fm-3m (225) | ✔ | 10 | 72 | 1 | 7.1159 | 7.116 | 0.000 | (0;000) | ✗ | 05/01/17 |
MnAlFe2 | ICSD | 57806 | Fm-3m (225) | ✔ | 4 | 34 | 3 | 0.0 | 0.000 | 0.764 | (1;000) | ✗ | 05/01/17 |
SrCrF4 | ICSD | 26105 | I4/mcm (140) | ✔ | 12 | 104 | 1 | 0.1691 | 0.170 | 0.000 | (0;000) | ✗ | 27/01/17 |
Al(FeO2)2 | ICSD | 76977 | Fd-3m (227) | ✔ | 14 | 86 | 3 | 0.0 | 0.000 | 0.500 | (1;000) | ✗ | 05/01/17 |
YGaI | ICSD | 417149 | P-3m1 (164) | ✔ | 6 | 62 | 2 | 0.0 | 0.781 | 0.317 | (0;000) | ✗ | 22/03/17 |
AlVFe2 | ICSD | 57833 | Fm-3m (225) | ✔ | 4 | 32 | 3 | 0.0 | 0.129 | 0.096 | (0;000) | ✗ | 05/01/17 |
MgCrF6 | COD | 1525281 | R-3 (148) | ✔ | 8 | 66 | 3 | 0.0 | 0.021 | 0.431 | (0;000) | ✗ | 27/01/17 |
CoBi3 | ICSD | 236383 | Pmnb (62) | ✔ | 16 | 96 | 3 | 0.0 | 0.031 | 0.777 | (1;000) | ✗ | 06/10/16 |
MnGaNi2 | ICSD | 160323 | C2/m (12) | ✔ | 20 | 240 | 3 | 0.0 | 0.001 | 0.804 | (1;001) | ✗ | 22/03/17 |
NaAlPO4F | ICSD | 40522 | C2/c (15) | ✔ | 16 | 96 | 3 | 5.8439 | 5.844 | 0.000 | (0;000) | ✗ | 05/01/17 |
MnAlGe | COD | 9008318 | P4/nmm (129) | ✔ | 6 | 44 | 3 | 0.0 | 0.005 | 0.212 | (0;001) | ✗ | 05/01/17 |
CrHgF6 | COD | 1525284 | R-3 (148) | ✔ | 8 | 68 | 3 | 0.0069 | 0.033 | 0.000 | (0;000) | ✗ | 27/01/17 |
NaAlGe | COD | 7221266 | P4/nmm (129) | ✔ | 6 | 32 | 1 | 0.0 | 0.008 | 0.128 | (0;000) | ✗ | 05/01/17 |
ScAlGe | ICSD | 608009 | Cmcm (63) | ✔ | 6 | 36 | 3 | 0.0 | 0.009 | 0.328 | (0;110) | ✗ | 05/01/17 |
HfCrSi | ICSD | 626157 | Pnma (62) | ✔ | 12 | 120 | 3 | 0.0 | 0.014 | 0.261 | (1;000) | ✗ | 27/01/17 |
Cr(FeSe2)2 | ICSD | 625966 | C2/m (12) | ✔ | 7 | 54 | 3 | 0.0 | 0.004 | 0.355 | (0;001) | ✗ | 27/01/17 |
V2GaSn2 | COD | 9007790 | Cmce (64) | ✔ | 20 | 268 | 3 | 0.0 | 0.011 | 0.208 | (1;110) | ✗ | 22/03/17 |
V3Ga | ICSD | 635634 | Pm-3n (223) | ✔ | 8 | 104 | 3 | 0.0 | 0.000 | 0.820 | (1;111) | ✗ | 22/03/17 |
SrCrF6 | COD | 1525279 | R-3m (166) | ✔ | 8 | 66 | 1 | 0.0 | 0.002 | 0.180 | (0;000) | ✗ | 27/01/17 |
Mn5Ge2 | ICSD | 40462 | Ibam (72) | ✔ | 14 | 166 | 3 | 0.0 | 0.000 | 0.631 | (0;100) | ✗ | 22/03/17 |
BaTiS3 | ICSD | 18201 | Ccmm (63) | ✔ | 10 | 80 | 1 | 0.0 | 0.022 | 0.149 | (0;000) | ✗ | 06/10/16 |
YAlGe | COD | 9007848 | Cmcm (63) | ✔ | 6 | 36 | 3 | 0.0 | 0.021 | 0.319 | (0;110) | ✗ | 05/01/17 |
AlH3 | COD | 4343801 | R-3c (167) | ✔ | 8 | 12 | 3 | 2.287 | 2.372 | 0.000 | (0;000) | ✗ | 05/01/17 |
GeI2 | COD | 9009105 | P-3m1 (164) | ✔ | 3 | 18 | 2 | 1.7731 | 1.802 | 0.000 | (0;000) | ✗ | 22/03/17 |
In5Bi3 | ICSD | 1244 | I4/mcm (140) | ✔ | 16 | 160 | 3 | 0.0 | 0.027 | 0.678 | (1;000) | ✗ | 06/10/16 |
NaAlH4 | ICSD | 8022 | I4_1/a (88) | ✔ | 12 | 32 | 1 | 0.5856 | 1.005 | 0.000 | (0;000) | ✗ | 05/01/17 |
Li3AlH6 | COD | 1532615 | R-3 (148) | ✔ | 20 | 36 | 2 | 3.6166 | 3.945 | 0.000 | (0;000) | ✗ | 05/01/17 |
Na2CrH2F8 | ICSD | 418677 | C2/m (12) | ✔ | 13 | 90 | 1 | 0.0 | 0.022 | 0.124 | (0;000) | ✗ | 27/01/17 |
La5Bi3 | ICSD | 616760 | P6_3/mcm (193) | ✔ | 16 | 60 | 3 | 0.0 | 0.001 | 0.649 | (0;000) | ✗ | 06/10/16 |
LiGe | ICSD | 60843 | I4_1/amd (141) | ✔ | 12 | 42 | 1 | 0.0 | 0.000 | 0.849 | (1;111) | ✗ | 22/03/17 |
Hf2Al | ICSD | 608076 | I4/mcm (140) | ✔ | 6 | 54 | 3 | 0.0 | 0.001 | 0.696 | (0;111) | ✗ | 05/01/17 |
Hf3AlN | ICSD | 602284 | Cmcm (63) | ✔ | 10 | 88 | 3 | 0.0 | 0.002 | 0.945 | (1;000) | ✗ | 05/01/17 |
ZrCrF6 | ICSD | 35719 | Fm-3m (225) | ✔ | 8 | 60 | 3 | 0.0 | 0.037 | 0.570 | (0;000) | ✗ | 27/01/17 |
HfAlPt2 | ICSD | 608138 | P6_3/mmc (194) | ✔ | 8 | 70 | 3 | 0.0 | 0.000 | 0.937 | (0;000) | ✗ | 05/01/17 |
NaGeSbO5 | ICSD | 39646 | C2/c (15) | ✔ | 16 | 96 | 3 | 2.5211 | 2.521 | 0.000 | (0;000) | ✗ | 22/03/17 |
LiAlPHO5 | ICSD | 68921 | P-1 (2) | ✔ | 18 | 84 | 3 | 6.1578 | 6.188 | 0.000 | (0;000) | ✗ | 05/01/17 |
YRh3C | ICSD | 77389 | Pm-3m (221) | ✔ | 5 | 66 | 3 | 0.0 | 0.000 | 0.259 | (0;111) | ✗ | 27/01/17 |
Cr(GaS2)2 | ICSD | 626052 | P-3m1 (164) | ✔ | 7 | 64 | 2 | 0.0 | 0.000 | 0.725 | (0;000) | ✗ | 27/01/17 |
NiBi3 | ICSD | 180771 | Pmnb (62) | ✔ | 16 | 100 | 3 | 0.0 | 0.003 | 0.726 | (0;011) | ✗ | 06/10/16 |
AlHO2 | COD | 1011027 | Pnma (62) | ✔ | 16 | 64 | 3 | 3.8534 | 3.853 | 0.000 | (0;000) | ✗ | 05/01/17 |
AlHO2 | COD | 9010883 | Pnma (62) | ✔ | 16 | 64 | 3 | 6.0478 | 6.048 | 0.000 | (0;000) | ✗ | 05/01/17 |
CrFeP | COD | 9013159 | Pnma (62) | ✔ | 12 | 108 | 3 | 0.0 | 0.000 | 0.432 | (0;011) | ✗ | 27/01/17 |
KAl(MoO4)2 | ICSD | 28018 | P-3m1 (164) | ✔ | 12 | 88 | 2 | 3.7424 | 3.742 | 0.000 | (0;000) | ✗ | 05/01/17 |
KAlO2 | COD | 2105208 | Fd-3m (227) | ✔ | 8 | 48 | 0 | 3.2866 | 3.290 | 0.000 | (0;000) | ✗ | 05/01/17 |
ScRh3C | ICSD | 77385 | Pm-3m (221) | ✔ | 5 | 66 | 3 | 0.0 | 0.000 | 0.137 | (0;111) | ✗ | 27/01/17 |
Bi3Rh | ICSD | 58853 | Pnma (62) | ✔ | 16 | 248 | 3 | 0.0 | 0.035 | 0.750 | (0;000) | ✗ | 02/02/17 |
Li5AlO4 | COD | 1528092 | Pmmn (59) | ✔ | 20 | 84 | 1 | 4.9075 | 4.995 | 0.000 | (0;000) | ✗ | 05/01/17 |
LiAl | ICSD | 262069 | P6_3/mmc (194) | ✔ | 8 | 24 | 1 | 0.0 | 0.000 | 0.353 | (0;000) | ✗ | 05/01/17 |
CrGa4 | ICSD | 626026 | Im-3m (229) | ✔ | 5 | 66 | 3 | 0.0 | 0.000 | 0.153 | (0;000) | ✗ | 27/01/17 |
LiAl | ICSD | 608345 | Fd-3m (227) | ✔ | 4 | 12 | 3 | 0.0 | 0.458 | 0.208 | (0;000) | ✗ | 05/01/17 |
LiAl(SiO3)2 | COD | 2003129 | C2/c (15) | ✔ | 20 | 100 | 3 | 5.7526 | 5.824 | 0.000 | (0;000) | ✗ | 05/01/17 |
K2MgF4 | ICSD | 33519 | I4/mmm (139) | ✔ | 7 | 56 | 2 | 6.6361 | 6.783 | 0.000 | (0;000) | ✗ | 27/01/17 |
YCu5 | COD | 2310320 | P6/mmm (191) | ✔ | 6 | 66 | 3 | 0.0 | 0.003 | 0.700 | (0;001) | ✗ | 27/01/17 |
CsK2Sb | ICSD | 53237 | Fm-3m (225) | ✔ | 4 | 32 | 1 | 0.9783 | 0.978 | 0.000 | (0;000) | ✗ | 27/01/17 |
Cs2NaMnF6 | ICSD | 37005 | Fm-3m (225) | ✔ | 10 | 84 | 1 | 0.0133 | 0.050 | 0.000 | (0;000) | ✗ | 27/01/17 |
MnPH2O5 | COD | 9012515 | C2/c (15) | ✔ | 18 | 104 | 3 | 0.0 | 0.015 | 0.579 | (0;000) | ✗ | 28/03/17 |
Na2Ni3P2(HO5)2 | ICSD | 425698 | C2/m (12) | ✔ | 19 | 120 | 2 | 0.0 | 0.016 | 0.199 | (0;000) | ✗ | 28/03/17 |
V2CrS4 | ICSD | 626655 | C2/m (12) | ✔ | 7 | 64 | 3 | 0.0 | 0.015 | 0.549 | (1;110) | ✗ | 27/01/17 |
CrPO4 | ICSD | 248485 | Cmcm (63) | ✔ | 12 | 86 | 3 | 0.0 | 0.000 | 0.724 | (0;000) | ✗ | 27/01/17 |
CrNiP | ICSD | 626440 | Pnma (62) | ✔ | 12 | 116 | 3 | 0.0 | 0.001 | 0.533 | (0;011) | ✗ | 27/01/17 |
NaCr(SiO3)2 | COD | 9003052 | C2/c (15) | ✔ | 20 | 134 | 3 | 0.0 | 0.000 | 0.370 | (1;101) | ✗ | 27/01/17 |
MgWO4 | COD | 9013904 | P2/c (13) | ✔ | 12 | 96 | 3 | 0.0 | 0.014 | 1.000 | (0;100) | ✗ | 28/03/17 |
Sr2Bi3 | ICSD | 106329 | Pcnn (52) | ✔ | 20 | 140 | 2 | 0.0 | 0.007 | 0.673 | (1;110) | ✗ | 06/10/16 |
LiAl(SiO3)2 | COD | 9003400 | C2/c (15) | ✔ | 20 | 100 | 3 | 4.833 | 4.846 | 0.000 | (0;000) | ✗ | 05/01/17 |
Mn2AlV | ICSD | 57994 | Fm-3m (225) | ✔ | 4 | 46 | 3 | 0.0 | 0.007 | 0.684 | (1;000) | ✗ | 05/01/17 |
Al2Te5 | ICSD | 78941 | C2/m (12) | ✔ | 7 | 36 | 3 | 0.768 | 1.019 | 0.000 | (0;000) | ✗ | 30/01/17 |
MnAlNi2 | ICSD | 608488 | Fm-3m (225) | ✔ | 4 | 38 | 3 | 0.0 | 0.000 | 0.638 | (0;000) | ✗ | 05/01/17 |
Sr2H3I | ICSD | 422181 | P-3m1 (164) | ✔ | 6 | 30 | 1 | 1.7868 | 2.196 | 0.000 | (0;000) | ✗ | 29/03/17 |
MnAlPd2 | ICSD | 57981 | Fm-3m (225) | ✔ | 4 | 54 | 3 | 0.0 | 0.000 | 0.572 | (0;000) | ✗ | 05/01/17 |
NbCrP | ICSD | 53189 | Pnma (62) | ✔ | 12 | 128 | 3 | 0.0 | 0.015 | 0.379 | (1;000) | ✗ | 27/01/17 |
PH4I | ICSD | 22083 | P4/nmm (129) | ✔ | 12 | 32 | 1 | 3.441 | 3.570 | 0.000 | (0;000) | ✗ | 29/03/17 |
TcH4NO4 | ICSD | 10429 | I4_1/a (88) | ✔ | 20 | 96 | 1 | 0.0 | 0.735 | 1.000 | (1;111) | ✗ | 29/03/17 |
Sr5Bi3 | ICSD | 41838 | P6_3/mcm (193) | ✔ | 16 | 130 | 1 | 0.0 | 0.000 | 0.580 | (1;000) | ✗ | 06/10/16 |
Hf9Ni11 | ICSD | 638706 | I4/m (87) | ✔ | 20 | 218 | 3 | 0.0 | 0.001 | 0.502 | (0;000) | ✗ | 29/03/17 |