▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▴ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
C | COD | 9012303 | Fd-3m (227) | ✔ | 2 | 8 | 3 | 4.1576 | 5.595 | 0.000 | (0;000) | ✗ | 27/01/17 |
SrSb2 | ICSD | 52307 | P2_1/m (11) | ✔ | 6 | 40 | 1 | 0.0 | 0.140 | 0.143 | (0;010) | ✔ | 27/01/17 |
GaCo | COD | 1525477 | Pm-3m (221) | ✔ | 2 | 30 | 3 | 0.0 | 0.002 | 0.365 | (0;000) | ✗ | 27/01/17 |
CoHO2 | COD | 9009884 | R-3m (166) | ✔ | 4 | 30 | 3 | 1.0064 | 1.165 | 0.000 | (0;000) | ✗ | 27/01/17 |
Co2P | COD | 9009202 | Pnma (62) | ✔ | 12 | 156 | 3 | 0.0 | 0.000 | 0.445 | (1;011) | ✗ | 27/01/17 |
Bi4I | ICSD | 246145 | C2/m (12) | ✔ | 20 | 108 | 3 | 0.0 | 0.059 | 0.855 | (1;001) | ✗ | 06/10/16 |
LiCoO2 | COD | 4505482 | R-3m (166) | ✔ | 4 | 32 | 2 | 1.0657 | 1.109 | 0.000 | (0;000) | ✗ | 27/01/17 |
NaCoO2 | ICSD | 96428 | R-3m (166) | ✔ | 4 | 38 | 2 | 0.9734 | 1.050 | 0.000 | (0;000) | ✗ | 27/01/17 |
Sr(CoP)2 | COD | 7221160 | I4/mmm (139) | ✔ | 5 | 54 | 2 | 0.0 | 0.002 | 0.607 | (0;111) | ✗ | 27/01/17 |
Co | COD | 9011615 | P6_3/mmc (194) | ✔ | 2 | 34 | 3 | 0.0 | 0.000 | 0.926 | (0;000) | ✗ | 27/01/17 |
ScCo | COD | 1523971 | Pm-3m (221) | ✔ | 2 | 28 | 3 | 0.0 | 0.024 | 0.314 | (0;000) | ✗ | 27/01/17 |
TiCo2 | COD | 1525441 | Fd-3m (227) | ✔ | 6 | 92 | 3 | 0.0 | 0.006 | 0.625 | (0;000) | ✗ | 27/01/17 |
TiCo2Si | ICSD | 189222 | Fm-3m (225) | ✔ | 4 | 50 | 3 | 0.0 | 0.000 | 0.681 | (1;000) | ✗ | 27/01/17 |
Co2Si | ICSD | 52281 | Pnma (62) | ✔ | 12 | 152 | 3 | 0.0 | 0.007 | 0.606 | (1;000) | ✗ | 27/01/17 |
BiBr | ICSD | 1560 | C2/m (12) | ✔ | 16 | 96 | 2 | 0.3125 | 0.313 | 0.000 | (0;000) | ✗ | 06/10/16 |
CrH2 | ICSD | 26630 | Fm-3m (225) | ✔ | 3 | 16 | 3 | 0.0 | 0.003 | 0.442 | (1;000) | ✗ | 27/01/17 |
Cr | COD | 9008467 | Fm-3m (225) | ✔ | 1 | 14 | 3 | 0.0 | 0.021 | 0.440 | (0;000) | ✗ | 27/01/17 |
Zr(CoSi)2 | ICSD | 625135 | I4/mmm (139) | ✔ | 5 | 46 | 3 | 0.0 | 0.023 | 0.374 | (1;111) | ✗ | 27/01/17 |
Cr | COD | 9008531 | Im-3m (229) | ✔ | 1 | 14 | 3 | 0.0 | 0.000 | 0.523 | (0;111) | ✗ | 27/01/17 |
Cr | COD | 9011574 | P6_3/mmc (194) | ✔ | 2 | 28 | 3 | 0.0 | 0.007 | 0.454 | (0;000) | ✗ | 27/01/17 |
Co2Si | COD | 9009209 | Pnma (62) | ✔ | 12 | 152 | 3 | 0.0 | 0.009 | 0.188 | (0;000) | ✗ | 27/01/17 |
BiBr3 | ICSD | 100293 | P2_1/c (14) | ✔ | 16 | 104 | 2 | 2.1184 | 2.183 | 0.000 | (0;000) | ✗ | 06/10/16 |
CrO | ICSD | 109296 | Fm-3m (225) | ✔ | 2 | 20 | 3 | 0.0 | 0.010 | 0.672 | (0;000) | ✗ | 27/01/17 |
CsF | ICSD | 61563 | Pm-3m (221) | ✔ | 2 | 16 | 3 | 5.6508 | 5.651 | 0.000 | (0;000) | ✗ | 27/01/17 |
Ca(AsO3)2 | ICSD | 77379 | P-31m (162) | ✔ | 9 | 56 | 2 | 2.9334 | 3.161 | 0.000 | (0;000) | ✗ | 06/10/16 |
Cs | ICSD | 57180 | P6_3/mmc (194) | ✔ | 2 | 18 | 3 | 0.0 | 0.000 | 0.705 | (1;000) | ✗ | 27/01/17 |
CsI | COD | 2106199 | P4/mmm (123) | ✔ | 2 | 16 | 3 | 0.0 | 0.000 | 0.705 | (0;000) | ✗ | 22/12/16 |
TaCo2 | COD | 1525074 | Fd-3m (227) | ✔ | 6 | 94 | 3 | 0.0 | 0.000 | 0.552 | (0;000) | ✗ | 27/01/17 |
TiCo2Sn | COD | 1525529 | Fm-3m (225) | ✔ | 4 | 60 | 3 | 0.0 | 0.000 | 0.685 | (0;000) | ✗ | 27/01/17 |
Ca2Bi | ICSD | 42136 | I4/mmm (139) | ✔ | 6 | 50 | 1 | 0.0 | 0.059 | 0.073 | (0;000) | ✗ | 06/10/16 |
ScCu | COD | 1523972 | Pm-3m (221) | ✔ | 2 | 22 | 3 | 0.0 | 0.000 | 0.621 | (0;111) | ✗ | 27/01/17 |
V2C | ICSD | 5005 | P-3m1 (164) | ✔ | 3 | 30 | 3 | 0.0 | 0.036 | 0.239 | (1;000) | ✗ | 27/01/17 |
Co2Sn | COD | 1525127 | P6_3/mmc (194) | ✔ | 6 | 96 | 3 | 0.0 | 0.021 | 0.584 | (0;000) | ✗ | 27/01/17 |
SF6 | ICSD | 63362 | Im-3m (229) | ✔ | 7 | 48 | 1 | 6.9017 | 6.902 | 0.000 | (0;000) | ✗ | 27/01/17 |
WC | ICSD | 185980 | Fm-3m (225) | ✔ | 2 | 18 | 3 | 0.0 | 0.006 | 0.526 | (0;000) | ✗ | 27/01/17 |
ZrC | COD | 9008777 | Fm-3m (225) | ✔ | 2 | 8 | 3 | 0.0 | 0.011 | 0.192 | (0;000) | ✗ | 27/01/17 |
KPF6 | ICSD | 56256 | R-3 (148) | ✔ | 8 | 56 | 1 | 7.8511 | 7.851 | 0.000 | (0;000) | ✗ | 27/01/17 |
TaCo2 | ICSD | 108151 | P6_3/mmc (194) | ✔ | 12 | 188 | 3 | 0.0 | 0.008 | 0.407 | (0;000) | ✗ | 27/01/17 |
CuBi | ICSD | 616577 | P6_3/mmc (194) | ✔ | 4 | 52 | 3 | 0.0 | 0.048 | 0.504 | (1;000) | ✗ | 05/01/17 |
LiHF2 | ICSD | 23883 | R-3m (166) | ✔ | 4 | 18 | 1 | 8.2121 | 8.402 | 0.000 | (0;000) | ✗ | 27/01/17 |
TiF2 | ICSD | 65410 | Fm-3m (225) | ✔ | 3 | 26 | 3 | 0.0 | 0.000 | 0.347 | (0;000) | ✗ | 27/01/17 |
ZrCo2Sn | COD | 1524615 | Fm-3m (225) | ✔ | 4 | 52 | 3 | 0.0 | 0.006 | 0.635 | (0;000) | ✗ | 27/01/17 |
Fe2Ge | ICSD | 108442 | P6/mmm (191) | ✔ | 3 | 20 | 3 | 0.0 | 0.002 | 0.572 | (0;000) | ✗ | 27/01/17 |
FeNi | COD | 9010017 | P4/mmm (123) | ✔ | 2 | 18 | 3 | 0.0 | 0.002 | 0.583 | (1;001) | ✗ | 27/01/17 |
C | COD | 1512497 | P6_3/mmc (194) | ✔ | 4 | 16 | 2 | 0.0 | 0.000 | 0.043 | (0;000) | ✗ | 27/01/17 |
TaCo3 | COD | 1525075 | Pm-3m (221) | ✔ | 4 | 64 | 3 | 0.0 | 0.000 | 0.599 | (1;000) | ✗ | 27/01/17 |
InCo3SnS2 | ICSD | 425137 | R-3m (166) | ✔ | 7 | 90 | 3 | 0.0 | 0.007 | 0.201 | (0;000) | ✗ | 27/01/17 |
CrCo3 | ICSD | 622450 | P6_3/mmc (194) | ✔ | 8 | 130 | 3 | 0.0 | 0.000 | 0.813 | (1;000) | ✗ | 27/01/17 |
BiF3 | ICSD | 1269 | Pbnm (62) | ✔ | 16 | 104 | 3 | 3.7081 | 3.709 | 0.000 | (0;000) | ✗ | 06/10/16 |
FeN | COD | 1524693 | P6_3/mmc (194) | ✔ | 4 | 26 | 3 | 0.0 | 0.000 | 0.679 | (0;000) | ✗ | 27/01/17 |
Fe | COD | 9006657 | P6_3/mmc (194) | ✔ | 2 | 16 | 3 | 0.0 | 0.013 | 0.553 | (0;000) | ✗ | 27/01/17 |
ZrCo2 | ICSD | 625679 | Fd-3m (227) | ✔ | 6 | 76 | 3 | 0.0 | 0.000 | 0.558 | (0;000) | ✗ | 27/01/17 |
Fe | COD | 9013476 | Im-3m (229) | ✔ | 1 | 8 | 3 | 0.0 | 0.000 | 0.788 | (0;000) | ✗ | 27/01/17 |
Fe | COD | 9014113 | Fm-3m (225) | ✔ | 1 | 8 | 3 | 0.0 | 0.003 | 0.514 | (0;000) | ✗ | 27/01/17 |
InCo3SnS2 | ICSD | 425136 | R-3m (166) | ✔ | 7 | 90 | 3 | 0.0451 | 0.067 | 0.000 | (0;000) | ✗ | 27/01/17 |
BiF3 | ICSD | 24522 | Fm-3m (225) | ✔ | 4 | 26 | 3 | 2.9096 | 3.077 | 0.000 | (0;000) | ✗ | 06/10/16 |
FeO | COD | 1011198 | Fm-3m (225) | ✔ | 2 | 14 | 3 | 0.0 | 0.073 | 0.319 | (0;000) | ✗ | 27/01/17 |
FePt | COD | 9004222 | P4/mmm (123) | ✔ | 2 | 18 | 3 | 0.0 | 0.005 | 0.856 | (1;001) | ✗ | 27/01/17 |
Mn2Co3Ge | ICSD | 52972 | P6_3/mmc (194) | ✔ | 12 | 170 | 3 | 0.0 | 0.000 | 0.829 | (0;000) | ✗ | 27/01/17 |
FeSi2 | COD | 9014640 | P4/mmm (123) | ✔ | 3 | 16 | 3 | 0.0 | 0.030 | 0.052 | (0;001) | ✗ | 27/01/17 |
TiFe | COD | 1522778 | Pm-3m (221) | ✔ | 2 | 20 | 3 | 0.0 | 0.017 | 0.224 | (1;111) | ✗ | 27/01/17 |
Co3Si | ICSD | 625031 | P6_3/mmc (194) | ✔ | 8 | 110 | 3 | 0.0 | 0.000 | 0.688 | (1;000) | ✗ | 27/01/17 |
Nb2Co3Si | ICSD | 53018 | P6_3/mmc (194) | ✔ | 12 | 162 | 3 | 0.0 | 0.000 | 0.793 | (1;000) | ✗ | 27/01/17 |
BiF5 | ICSD | 25023 | I4/m (87) | ✔ | 6 | 50 | 2 | 3.1288 | 3.527 | 0.000 | (0;000) | ✗ | 05/01/17 |
KF | ICSD | 61558 | Pm-3m (221) | ✔ | 2 | 16 | 3 | 7.7424 | 7.742 | 0.000 | (0;000) | ✗ | 27/01/17 |
KF | COD | 9008652 | Fm-3m (225) | ✔ | 2 | 16 | 1 | 6.1456 | 6.146 | 0.000 | (0;000) | ✗ | 27/01/17 |
Co3Mo | COD | 2310283 | P6_3/mmc (194) | ✔ | 8 | 130 | 3 | 0.0 | 0.000 | 0.696 | (0;000) | ✗ | 27/01/17 |
LiF | COD | 9008667 | Fm-3m (225) | ✔ | 2 | 10 | 1 | 9.1231 | 9.123 | 0.000 | (0;000) | ✗ | 27/01/17 |
NaF | COD | 9007458 | Fm-3m (225) | ✔ | 2 | 16 | 1 | 6.2699 | 6.270 | 0.000 | (0;000) | ✗ | 27/01/17 |
Sc2Co3Si | ICSD | 9966 | P6_3/mmc (194) | ✔ | 12 | 154 | 3 | 0.0 | 0.000 | 0.564 | (0;000) | ✗ | 27/01/17 |
Hf2Bi | ICSD | 168286 | C2/m (12) | ✔ | 6 | 58 | 3 | 0.0 | 0.030 | 0.460 | (0;110) | ✗ | 06/10/16 |
RbF | ICSD | 43436 | Pm-3m (221) | ✔ | 2 | 16 | 3 | 7.0174 | 7.017 | 0.000 | (0;000) | ✗ | 27/01/17 |
GaIr | COD | 1523837 | Pm-3m (221) | ✔ | 2 | 30 | 3 | 0.0 | 0.060 | 0.163 | (0;000) | ✗ | 27/01/17 |
Co3O4 | COD | 9005896 | Fd-3m (227) | ✔ | 14 | 150 | 3 | 0.0 | 0.000 | 0.106 | (0;000) | ✗ | 27/01/17 |
GaN | ICSD | 155050 | Fm-3m (225) | ✔ | 2 | 18 | 3 | 0.7442 | 3.044 | 0.000 | (0;000) | ✗ | 27/01/17 |
Ga | COD | 9012485 | Cmcm (63) | ✔ | 2 | 26 | 3 | 0.0 | 0.000 | 0.650 | (1;110) | ✗ | 27/01/17 |
ZnCO6 | COD | 5910061 | R-3m (166) | ✔ | 8 | 52 | 3 | 0.0 | 0.006 | 0.388 | (1;111) | ✗ | 27/01/17 |
ZnCO3 | COD | 9000099 | R-3c (167) | ✔ | 10 | 68 | 3 | 3.7274 | 4.675 | 0.000 | (0;000) | ✗ | 27/01/17 |
Tl2CO3 | COD | 2017545 | C2/m (12) | ✔ | 12 | 96 | 2 | 1.4491 | 2.153 | 0.000 | (0;000) | ✗ | 27/01/17 |
BiI | ICSD | 1558 | C2/m (12) | ✔ | 16 | 96 | 1 | 0.1374 | 0.153 | 0.000 | (0;000) | ✗ | 06/10/16 |
GaRh | ICSD | 657338 | Pm-3m (221) | ✔ | 2 | 30 | 3 | 0.0 | 0.013 | 0.233 | (0;000) | ✗ | 27/01/17 |
Ge | ICSD | 181070 | Fm-3m (225) | ✔ | 1 | 4 | 1 | 0.0 | 0.117 | 0.611 | (0;000) | ✗ | 27/01/17 |
GeP | ICSD | 637492 | C2/m (12) | ✔ | 12 | 54 | 3 | 0.4879 | 0.651 | 0.000 | (0;000) | ✗ | 02/02/17 |
Se | ICSD | 659254 | C2/c (15) | ✔ | 2 | 12 | 3 | 0.0 | 0.230 | 0.511 | (0;110) | ✗ | 15/02/17 |
Ge | ICSD | 181073 | P6_3/mmc (194) | ✔ | 2 | 8 | 1 | 0.0 | 0.015 | 0.756 | (1;000) | ✗ | 27/01/17 |
VF4 | ICSD | 65785 | P2_1/c (14) | ✔ | 10 | 82 | 2 | 0.0 | 0.000 | 0.558 | (0;000) | ✗ | 27/01/17 |
LiH2N | ICSD | 237214 | Pbcm (57) | ✔ | 16 | 40 | 3 | 6.1225 | 6.972 | 0.000 | (0;000) | ✗ | 27/01/17 |
TaF3 | ICSD | 30613 | Pm-3m (221) | ✔ | 4 | 34 | 3 | 0.0 | 0.000 | 0.776 | (0;000) | ✗ | 27/01/17 |
Co3W | COD | 1524836 | P6_3/mmc (194) | ✔ | 8 | 130 | 3 | 0.0 | 0.000 | 0.708 | (0;000) | ✗ | 27/01/17 |
Zn2CuAu | ICSD | 150572 | Pmmn (59) | ✔ | 8 | 92 | 3 | 0.0 | 0.042 | 0.873 | (1;000) | ✗ | 05/01/17 |
LiAlAg2 | COD | 1509977 | Fm-3m (225) | ✔ | 4 | 28 | 3 | 0.0 | 0.000 | 0.853 | (0;000) | ✗ | 05/01/17 |
ScAlAg2 | COD | 1509642 | Fm-3m (225) | ✔ | 4 | 36 | 3 | 0.0 | 0.005 | 0.281 | (1;000) | ✗ | 05/01/17 |
BiI | ICSD | 1559 | C2/m (12) | ✔ | 8 | 48 | 1 | 0.139 | 0.161 | 0.000 | (0;001) | ✗ | 06/10/16 |
Ba(AgGe)2 | COD | 7209360 | I4/mmm (139) | ✔ | 5 | 40 | 3 | 0.0 | 0.037 | 0.770 | (0;000) | ✗ | 05/01/17 |
BaAg2 | COD | 1509681 | Imma (74) | ✔ | 6 | 64 | 3 | 0.0 | 0.021 | 0.390 | (0;000) | ✗ | 05/01/17 |
Zr(CoGe)6 | ICSD | 623679 | P6/mmm (191) | ✔ | 13 | 130 | 3 | 0.0 | 0.006 | 0.663 | (1;000) | ✗ | 27/01/17 |
Hf(CoGe)6 | ICSD | 623434 | P6/mmm (191) | ✔ | 13 | 138 | 3 | 0.0 | 0.002 | 0.663 | (1;000) | ✗ | 27/01/17 |
BiI3 | ICSD | 187304 | P-31m (162) | ✔ | 8 | 72 | 2 | 1.0725 | 1.073 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ba(AgS)2 | COD | 1509711 | P-3m1 (164) | ✔ | 5 | 44 | 2 | 0.9156 | 0.916 | 0.000 | (0;000) | ✗ | 05/01/17 |
Ba(AgSn)2 | COD | 7209364 | I4/mmm (139) | ✔ | 5 | 60 | 3 | 0.0 | 0.039 | 0.778 | (0;000) | ✗ | 05/01/17 |