▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▴ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Li2PdO2 | COD | 1528454 | Immm (71) | ✔ | 5 | 36 | 1 | 1.3852 | 1.861 | 0.000 | (0;000) | ✗ | 27/01/17 |
BaC2 | ICSD | 88102 | C2/c (15) | ✔ | 6 | 36 | 1 | 1.9008 | 2.015 | 0.000 | (0;000) | ✗ | 27/01/17 |
FeGe | ICSD | 632016 | P6/mmm (191) | ✔ | 6 | 36 | 3 | 0.0 | 0.005 | 0.874 | (0;001) | ✗ | 27/01/17 |
FeSb2 | COD | 9012580 | Pnnm (58) | ✔ | 6 | 36 | 3 | 0.0 | 0.188 | 0.031 | (0;000) | ✗ | 27/01/17 |
Ge2Pt | ICSD | 43684 | Pnnm (58) | ✔ | 6 | 36 | 3 | 0.0 | 0.028 | 0.179 | (0;000) | ✗ | 27/01/17 |
TiTe | COD | 9008920 | P6_3/mmc (194) | ✔ | 4 | 36 | 3 | 0.0 | 0.003 | 0.503 | (1;000) | ✗ | 27/01/17 |
Ca(FeAs)2 | ICSD | 182276 | I4/mmm (139) | ✔ | 5 | 36 | 3 | 0.0 | 0.002 | 0.686 | (1;111) | ✗ | 05/01/17 |
ZnTe | ICSD | 184493 | Cmcm (63) | ✔ | 4 | 36 | 3 | 0.0 | 0.064 | 0.275 | (0;000) | ✗ | 27/01/17 |
SrLiP | ICSD | 416889 | P6_3/mmc (194) | ✔ | 6 | 36 | 1 | 1.3152 | 1.464 | 0.000 | (0;000) | ✗ | 27/01/17 |
Ti2Zn | ICSD | 653304 | I4/mmm (139) | ✔ | 3 | 36 | 3 | 0.0 | 0.003 | 0.482 | (0;111) | ✗ | 27/01/17 |
NaCN | ICSD | 77172 | Pmmn (59) | ✔ | 6 | 36 | 1 | 5.2505 | 5.437 | 0.000 | (0;000) | ✗ | 27/01/17 |
AgCl | COD | 9011680 | Cmcm (63) | ✔ | 4 | 36 | 3 | 0.6339 | 1.812 | 0.000 | (0;000) | ✗ | 05/01/17 |
FeAs2 | COD | 9012340 | Pnnm (58) | ✔ | 6 | 36 | 3 | 0.2868 | 0.618 | 0.000 | (0;000) | ✗ | 05/01/17 |
NbN | ICSD | 150967 | P6_3/mmc (194) | ✔ | 4 | 36 | 3 | 0.0 | 0.004 | 0.318 | (0;000) | ✗ | 27/01/17 |
TeO2 | ICSD | 647519 | P4_2/mnm (136) | ✔ | 6 | 36 | 3 | 0.0 | 0.890 | 0.307 | (0;000) | ✗ | 27/01/17 |
TiTe | COD | 1522489 | P6_3/mmc (194) | ✔ | 4 | 36 | 3 | 0.0 | 0.003 | 0.456 | (1;000) | ✗ | 27/01/17 |
Li2GaIr | ICSD | 107085 | F-43m (216) | ✗ | 4 | 36 | 3 | 0.0 | 0.051 | 0.669 | ? | ✗ | 15/02/17 |
LiH3IN | ICSD | 55064 | P2_1 (4) | ✗ | 12 | 36 | 1 | 3.8239 | 3.825 | 0.000 | (0;000) | ✗ | 15/02/17 |
Li2InIr | ICSD | 107089 | F-43m (216) | ✗ | 4 | 36 | 3 | 0.0 | 0.030 | 0.661 | ? | ✗ | 15/02/17 |
NaMnSe2 | ICSD | 50818 | P3m1 (156) | ✗ | 4 | 36 | 1 | 0.0 | 0.015 | 0.720 | (1;100) | ✔ | 06/10/16 |
NbP | ICSD | 645167 | I4_1md (109) | ✗ | 4 | 36 | 3 | 0.0 | 0.024 | 0.025 | (1;100) | ✔ | 06/10/16 |
ScAlAu2 | ICSD | 57505 | Fm-3m (225) | ✔ | 4 | 36 | 3 | 0.0 | 0.059 | 0.379 | (0;000) | ✗ | 05/01/17 |
Sr(FeP)2 | ICSD | 54407 | I4/mmm (139) | ✔ | 5 | 36 | 2 | 0.0 | 0.011 | 0.570 | (1;111) | ✗ | 27/01/17 |
TaAs | ICSD | 44068 | I4_1md (109) | ✗ | 4 | 36 | 3 | 0.0 | 0.041 | 0.008 | (1;001) | ✔ | 06/10/16 |
KLiTe | ICSD | 67887 | P4/nmm (129) | ✔ | 6 | 36 | 1 | 2.2329 | 2.233 | 0.000 | (0;000) | ✗ | 27/01/17 |
LiAu3 | COD | 1510505 | Pm-3m (221) | ✔ | 4 | 36 | 3 | 0.0 | 0.000 | 0.554 | (0;111) | ✗ | 05/01/17 |
SrHCl | COD | 9009183 | P4/nmm (129) | ✔ | 6 | 36 | 1 | 4.0353 | 4.068 | 0.000 | (0;000) | ✗ | 27/01/17 |
TiS | COD | 9008918 | P6_3/mmc (194) | ✔ | 4 | 36 | 3 | 0.0 | 0.002 | 0.326 | (0;000) | ✗ | 27/01/17 |
FeSb2 | ICSD | 151397 | Pmnn (58) | ✔ | 6 | 36 | 3 | 0.1637 | 0.361 | 0.000 | (0;000) | ✗ | 06/10/16 |
FeP2 | ICSD | 15027 | Pmnn (58) | ✔ | 6 | 36 | 3 | 0.4006 | 0.861 | 0.000 | (0;000) | ✗ | 06/10/16 |
BeSiN2 | ICSD | 44112 | I-42d (122) | ✗ | 8 | 36 | 3 | 1.4111 | 1.932 | 0.000 | (0;000) | ✗ | 07/10/16 |
TlN | ICSD | 186556 | P6_3mc (186) | ✗ | 4 | 36 | 3 | 0.0197 | 0.024 | 0.000 | (1;000) | ✔ | 06/10/16 |
RbMnTe2 | ICSD | 87984 | I-4m2 (119) | ✗ | 4 | 36 | 2 | 0.0 | 0.003 | 0.593 | (1;010) | ✔ | 07/10/16 |
RbMnSe2 | ICSD | 50819 | I-4m2 (119) | ✗ | 4 | 36 | 2 | 0.0 | 0.003 | 0.529 | (1;100) | ✔ | 07/10/16 |
BeSiP2 | ICSD | 237066 | I-42d (122) | ✗ | 8 | 36 | 3 | 1.1465 | 1.147 | 0.000 | (0;000) | ✗ | 07/10/16 |
NbAs | ICSD | 16585 | I4_1md (109) | ✗ | 4 | 36 | 3 | 0.0 | 0.019 | 0.026 | (0;101) | ✔ | 06/10/16 |
S | COD | 9008578 | R-3 (148) | ✔ | 6 | 36 | 1 | 2.1417 | 2.167 | 0.000 | (0;000) | ✗ | 27/01/17 |
NbN | ICSD | 185442 | P6_3mc (186) | ✗ | 4 | 36 | 3 | 0.0 | 0.008 | 0.291 | (1;100) | ✔ | 06/10/16 |
YTlTe2 | ICSD | 653098 | R-3m (166) | ✔ | 4 | 36 | 3 | 0.5801 | 1.161 | 0.000 | (0;000) | ✗ | 27/01/17 |
Ba(FeAs)2 | COD | 4123005 | I4/mmm (139) | ✔ | 5 | 36 | 2 | 0.0 | 0.015 | 0.486 | (1;111) | ✗ | 05/01/17 |
InAs | ICSD | 190427 | P6_3mc (186) | ✗ | 4 | 36 | 3 | 0.0806 | 0.081 | 0.000 | (0;000) | ✔ | 06/10/16 |
BaHCl | COD | 9009159 | P4/nmm (129) | ✔ | 6 | 36 | 1 | 3.2871 | 3.287 | 0.000 | (0;000) | ✗ | 05/01/17 |
YAlSi | COD | 1533018 | Cmcm (63) | ✔ | 6 | 36 | 3 | 0.0 | 0.015 | 0.313 | (0;110) | ✗ | 05/01/17 |
Y3Al | ICSD | 58212 | Pm-3m (221) | ✔ | 4 | 36 | 3 | 0.0 | 0.000 | 0.809 | (1;111) | ✗ | 05/01/17 |
LiH3O2 | COD | 2106174 | C2/m (12) | ✔ | 12 | 36 | 1 | 3.8048 | 3.883 | 0.000 | (0;000) | ✗ | 27/01/17 |
KLiSe | ICSD | 67277 | P4/nmm (129) | ✔ | 6 | 36 | 1 | 2.4508 | 2.488 | 0.000 | (0;000) | ✗ | 27/01/17 |
TaAlNi2 | ICSD | 608870 | Fm-3m (225) | ✔ | 4 | 36 | 3 | 0.0 | 0.000 | 0.260 | (1;000) | ✗ | 05/01/17 |
NbAlNi2 | ICSD | 58016 | Fm-3m (225) | ✔ | 4 | 36 | 3 | 0.0 | 0.014 | 0.246 | (1;000) | ✗ | 05/01/17 |
AlVNi2 | ICSD | 58071 | Fm-3m (225) | ✔ | 4 | 36 | 3 | 0.0 | 0.007 | 0.267 | (1;000) | ✗ | 05/01/17 |
KCN | ICSD | 173942 | Cc (9) | ✗ | 6 | 36 | 1 | 5.131 | 5.273 | 0.000 | (0;000) | ✗ | 06/10/16 |
CuCl | COD | 9008865 | P6_3mc (186) | ✗ | 4 | 36 | 3 | 0.3692 | 0.369 | 0.000 | (0;000) | ✔ | 15/02/17 |
TiSe | COD | 9008919 | P6_3/mmc (194) | ✔ | 4 | 36 | 3 | 0.0 | 0.000 | 0.450 | (0;000) | ✗ | 27/01/17 |
SrSi2 | COD | 1527358 | I4_1/amd (141) | ✔ | 6 | 36 | 3 | 0.0 | 0.014 | 0.249 | (1;111) | ✗ | 27/01/17 |
BaHBr | COD | 9009158 | P4/nmm (129) | ✔ | 6 | 36 | 1 | 3.4293 | 3.429 | 0.000 | (0;000) | ✗ | 05/01/17 |
CdTe | ICSD | 246692 | Cmcm (63) | ✔ | 4 | 36 | 3 | 0.0 | 0.131 | 0.244 | (0;000) | ✗ | 27/01/17 |
BaLiP | ICSD | 416890 | P6_3/mmc (194) | ✔ | 6 | 36 | 1 | 0.9216 | 0.963 | 0.000 | (0;000) | ✗ | 05/01/17 |
CuNi2Sb | ICSD | 53320 | Fm-3m (225) | ✔ | 4 | 36 | 3 | 0.0 | 0.004 | 0.916 | (1;000) | ✗ | 27/01/17 |
Se | COD | 9013138 | R-3 (148) | ✔ | 6 | 36 | 1 | 1.2105 | 1.351 | 0.000 | (0;000) | ✗ | 27/01/17 |
CaGe2 | ICSD | 185655 | P6_3mc (186) | ✗ | 6 | 36 | 1 | 0.0 | 0.071 | 0.116 | (1;000) | ✔ | 04/10/16 |
GaAs | ICSD | 190423 | P6_3mc (186) | ✗ | 4 | 36 | 3 | 0.685 | 0.685 | 0.000 | (0;000) | ✗ | 06/10/16 |
Fe4C | ICSD | 44729 | P-43m (215) | ✗ | 5 | 36 | 3 | 0.0 | 0.000 | 0.826 | ? | ✗ | 15/02/17 |
InSb | COD | 1525500 | Pmmn (59) | ✔ | 4 | 36 | 3 | 0.0 | 0.010 | 0.580 | (0;000) | ✗ | 27/01/17 |
ZrAs | COD | 9008970 | P6_3/mmc (194) | ✔ | 8 | 36 | 3 | 0.0 | 0.020 | 0.423 | (0;000) | ✗ | 05/01/17 |
CaC2 | ICSD | 66663 | P-1 (2) | ✔ | 6 | 36 | 1 | 2.4633 | 3.084 | 0.000 | (0;000) | ✗ | 06/10/16 |
CaC2 | ICSD | 290834 | Cmcm (63) | ✔ | 6 | 36 | 1 | 0.0 | 0.051 | 0.065 | (0;000) | ✗ | 06/10/16 |
BeBr2 | COD | 1526850 | Ibam (72) | ✔ | 6 | 36 | 1 | 5.332 | 5.347 | 0.000 | (0;000) | ✗ | 05/01/17 |
ScTlSe2 | ICSD | 418475 | R-3m (166) | ✔ | 4 | 36 | 3 | 0.4619 | 1.083 | 0.000 | (0;000) | ✗ | 27/01/17 |
Fe4C | ICSD | 187144 | I4/m (87) | ✔ | 5 | 36 | 3 | 0.0 | 0.008 | 0.732 | (0;111) | ✗ | 06/10/16 |
ScTlTe2 | ICSD | 418476 | R-3m (166) | ✔ | 4 | 36 | 3 | 0.0 | 0.243 | 0.108 | (0;000) | ✗ | 27/01/17 |
BeCl2 | COD | 1526848 | Ibam (72) | ✔ | 6 | 36 | 1 | 6.5568 | 6.792 | 0.000 | (0;000) | ✗ | 05/01/17 |
YTlSe2 | ICSD | 652075 | R-3m (166) | ✔ | 4 | 36 | 2 | 1.1254 | 1.777 | 0.000 | (0;000) | ✗ | 27/01/17 |
RuCl2O | ICSD | 83883 | Immm (71) | ✔ | 4 | 36 | 2 | 0.0 | 0.038 | 0.984 | (0;000) | ✗ | 27/01/17 |
InCuO2 | COD | 1521924 | R-3m (166) | ✔ | 4 | 36 | 3 | 0.441 | 0.804 | 0.000 | (0;000) | ✗ | 27/01/17 |
Zr2Ni | COD | 2310220 | I4/mcm (140) | ✔ | 6 | 36 | 3 | 0.0 | 0.003 | 0.228 | (0;111) | ✗ | 27/01/17 |
In2Pt | COD | 9009034 | Fm-3m (225) | ✔ | 3 | 36 | 3 | 0.0 | 0.022 | 0.831 | (0;000) | ✗ | 27/01/17 |
GaCuO2 | ICSD | 60846 | R-3m (166) | ✔ | 4 | 36 | 3 | 0.9088 | 1.630 | 0.000 | (0;000) | ✗ | 27/01/17 |
InSb | ICSD | 190430 | P6_3mc (186) | ✗ | 4 | 36 | 3 | 0.0 | 0.021 | 0.007 | (1;000) | ✔ | 06/10/16 |
Li2InIr | ICSD | 639824 | Fm-3m (225) | ✔ | 4 | 36 | 3 | 0.0 | 0.005 | 0.483 | (1;000) | ✗ | 27/01/17 |
CuBr | COD | 9008864 | P6_3mc (186) | ✗ | 4 | 36 | 3 | 0.393 | 0.393 | 0.000 | (0;000) | ✔ | 15/02/17 |
NaBeSb | COD | 7221254 | P6_3/mmc (194) | ✔ | 6 | 36 | 1 | 0.6881 | 1.361 | 0.000 | (0;000) | ✗ | 05/01/17 |
BaLiSb | COD | 2200086 | P6_3/mmc (194) | ✔ | 6 | 36 | 1 | 0.4311 | 0.643 | 0.000 | (0;000) | ✗ | 05/01/17 |
BeSiSb2 | ICSD | 237068 | I-42d (122) | ✗ | 8 | 36 | 3 | 0.0 | 0.476 | 0.018 | (0;000) | ✔ | 07/10/16 |
Al2Te5 | ICSD | 78941 | C2/m (12) | ✔ | 7 | 36 | 3 | 0.768 | 1.019 | 0.000 | (0;000) | ✗ | 30/01/17 |
InP | ICSD | 180911 | P6_3mc (186) | ✗ | 4 | 36 | 3 | 0.5486 | 0.549 | 0.000 | (0;000) | ✗ | 06/10/16 |
BiTeCl | ICSD | 79362 | P6_3mc (186) | ✗ | 6 | 36 | 2 | 0.264 | 0.280 | 0.000 | (0;000) | ✔ | 06/10/16 |
InN | ICSD | 181366 | P6_3mc (186) | ✗ | 4 | 36 | 3 | 0.0 | 0.003 | 0.008 | (1;000) | ✔ | 06/10/16 |
BeH2 | ICSD | 161367 | Ibam (72) | ✔ | 18 | 36 | 1 | 5.4829 | 5.483 | 0.000 | (0;000) | ✗ | 05/01/17 |
NClO4 | COD | 9015836 | F-43m (216) | ✗ | 6 | 36 | 1 | 0.0 | 0.003 | 0.207 | (0;000) | ✔ | 15/02/17 |
Zr(CuP)2 | ICSD | 628683 | P-3m1 (164) | ✔ | 5 | 36 | 3 | 0.0 | 0.035 | 0.238 | (1;000) | ✗ | 27/01/17 |
LiPN2 | ICSD | 32713 | I-42d (122) | ✗ | 8 | 36 | 3 | 4.0391 | 4.776 | 0.000 | (0;000) | ✗ | 07/10/16 |
Ca(FeP)2 | COD | 7221157 | I4/mmm (139) | ✔ | 5 | 36 | 2 | 0.0 | 0.003 | 0.585 | (1;000) | ✗ | 27/01/17 |
NbP | COD | 9008973 | I4_1/amd (141) | ✔ | 4 | 36 | 3 | 0.0 | 0.011 | 0.453 | (1;111) | ✗ | 27/01/17 |
ScNiBi | ICSD | 58824 | F-43m (216) | ✗ | 3 | 36 | 3 | 0.1651 | 0.846 | 0.000 | (0;000) | ✔ | 15/02/17 |
YTlS2 | ICSD | 651267 | R-3m (166) | ✔ | 4 | 36 | 2 | 1.4802 | 2.223 | 0.000 | (0;000) | ✗ | 27/01/17 |
LiBO2 | ICSD | 34256 | I-42d (122) | ✗ | 8 | 36 | 3 | 7.3954 | 7.536 | 0.000 | (0;000) | ✗ | 07/10/16 |
Li3AlH6 | COD | 1532615 | R-3 (148) | ✔ | 20 | 36 | 2 | 3.6166 | 3.945 | 0.000 | (0;000) | ✗ | 05/01/17 |
YNiBi | ICSD | 58826 | F-43m (216) | ✗ | 3 | 36 | 3 | 0.1743 | 0.705 | 0.000 | (0;000) | ✔ | 15/02/17 |
Zr2CS | COD | 9008972 | P6_3/mmc (194) | ✔ | 8 | 36 | 3 | 0.0 | 0.015 | 0.336 | (0;000) | ✗ | 27/01/17 |
VP | COD | 9008921 | P6_3/mmc (194) | ✔ | 4 | 36 | 3 | 0.0 | 0.000 | 0.214 | (0;000) | ✗ | 27/01/17 |
CuBr | ICSD | 30091 | P6_3/mmc (194) | ✔ | 4 | 36 | 3 | 0.4343 | 0.434 | 0.000 | (0;000) | ✔ | 27/01/17 |