▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▴ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
KZnF3 | COD | 5910077 | Pm-3m (221) | ✔ | 5 | 42 | 3 | 3.8219 | 5.649 | 0.000 | (0;000) | ✗ | 27/01/17 |
Ba(CuAs)2 | ICSD | 609850 | I4/mmm (139) | ✔ | 5 | 42 | 3 | 0.0 | 0.053 | 0.240 | (1;111) | ✗ | 05/01/17 |
Sr(CuAs)2 | ICSD | 78756 | I4/mmm (139) | ✔ | 5 | 42 | 3 | 0.0 | 0.055 | 0.314 | (1;111) | ✗ | 05/01/17 |
KO2 | ICSD | 38230 | C2/c (15) | ✔ | 6 | 42 | 2 | 0.0 | 0.000 | 0.626 | (1;011) | ✔ | 27/01/17 |
Ca3Hg | ICSD | 58903 | Pm-3m (221) | ✔ | 4 | 42 | 1 | 0.0 | 0.000 | 0.492 | (1;000) | ✗ | 27/01/17 |
Fe2As | COD | 1011298 | P4/nmm (129) | ✔ | 6 | 42 | 3 | 0.0 | 0.000 | 0.749 | (1;001) | ✗ | 05/01/17 |
SrCrO3 | ICSD | 245834 | Pm-3m (221) | ✔ | 5 | 42 | 3 | 0.0 | 0.000 | 0.770 | (0;000) | ✗ | 27/01/17 |
ZrTiAs | COD | 4000091 | I4/mmm (139) | ✔ | 6 | 42 | 3 | 0.0 | 0.002 | 0.514 | (0;111) | ✗ | 05/01/17 |
Fe3Pd | COD | 1523349 | Pm-3m (221) | ✔ | 4 | 42 | 3 | 0.0 | 0.000 | 0.957 | (0;000) | ✗ | 27/01/17 |
CoTe2 | ICSD | 25678 | Pmnn (58) | ✔ | 6 | 42 | 3 | 0.0 | 0.000 | 0.783 | (0;000) | ✗ | 06/10/16 |
OsN | ICSD | 167513 | Pmn2_1 (31) | ✗ | 4 | 42 | 3 | 0.0 | 0.000 | 0.868 | (0;001) | ✔ | 06/10/16 |
B12S | ICSD | 150626 | R-3m (166) | ✔ | 13 | 42 | 3 | 0.0 | 0.009 | 0.230 | (0;000) | ✗ | 05/01/17 |
ReB2 | COD | 2310090 | P6_3/mmc (194) | ✔ | 6 | 42 | 3 | 0.0 | 0.000 | 0.613 | (1;000) | ✗ | 05/01/17 |
TcB2 | ICSD | 615553 | P6_3/mmc (194) | ✔ | 6 | 42 | 3 | 0.0 | 0.000 | 0.686 | (1;000) | ✗ | 05/01/17 |
K(BH)3 | ICSD | 65507 | Fm-3m (225) | ✔ | 14 | 42 | 2 | 4.9336 | 4.934 | 0.000 | (0;000) | ✗ | 05/01/17 |
Fe2B4Mo | COD | 1511736 | Immm (71) | ✔ | 7 | 42 | 3 | 0.0 | 0.004 | 0.772 | (1;000) | ✗ | 05/01/17 |
Ba2ZnN2 | COD | 1005020 | I4/mmm (139) | ✔ | 5 | 42 | 1 | 0.4276 | 0.537 | 0.000 | (0;000) | ✗ | 05/01/17 |
Ba(CdGe)2 | ICSD | 174263 | I4/mmm (139) | ✔ | 5 | 42 | 3 | 0.0 | 0.038 | 0.327 | (1;111) | ✗ | 05/01/17 |
CsHgF3 | COD | 1527533 | Pm-3m (221) | ✔ | 5 | 42 | 3 | 0.5586 | 2.703 | 0.000 | (0;000) | ✗ | 27/01/17 |
TiFeH | ICSD | 602022 | Pmma (51) | ✔ | 6 | 42 | 3 | 0.0 | 0.000 | 0.748 | (1;100) | ✗ | 27/01/17 |
HfIr | ICSD | 185633 | Pmmb (51) | ✔ | 4 | 42 | 3 | 0.0 | 0.000 | 0.688 | (1;100) | ✗ | 06/10/16 |
BaMoO3 | ICSD | 43799 | Pm-3m (221) | ✔ | 5 | 42 | 3 | 0.0 | 0.000 | 0.771 | (0;000) | ✗ | 05/01/17 |
BaPbO3 | ICSD | 245606 | Pm-3m (221) | ✔ | 5 | 42 | 3 | 0.0 | 0.000 | 0.123 | (1;000) | ✗ | 05/01/17 |
BaPbO3 | ICSD | 51659 | Pm-3m (221) | ✔ | 5 | 42 | 3 | 0.0 | 0.000 | 0.691 | (0;000) | ✗ | 05/01/17 |
BaSnO3 | ICSD | 188149 | Pm-3m (221) | ✔ | 5 | 42 | 3 | 0.9479 | 1.373 | 0.000 | (0;000) | ✗ | 05/01/17 |
Ba(ZnSi)2 | ICSD | 174269 | I4/mmm (139) | ✔ | 5 | 42 | 3 | 0.0 | 0.005 | 0.274 | (1;000) | ✗ | 05/01/17 |
Zr6FeSb2 | ICSD | 156949 | P-62m (189) | ✗ | 9 | 42 | 3 | 0.0 | 0.000 | 0.919 | ? | ✗ | 06/10/16 |
Be2Nb | ICSD | 58721 | Fd-3m (227) | ✔ | 6 | 42 | 3 | 0.0 | 0.000 | 0.463 | (0;000) | ✗ | 05/01/17 |
TaBe2 | ICSD | 58739 | Fd-3m (227) | ✔ | 6 | 42 | 3 | 0.0 | 0.000 | 0.593 | (0;000) | ✗ | 05/01/17 |
LaTe3 | ICSD | 642014 | Ccmm (63) | ✔ | 8 | 42 | 2 | 0.0 | 0.000 | 0.968 | (1;000) | ✗ | 06/10/16 |
VGaFe2 | ICSD | 631850 | Fm-3m (225) | ✔ | 4 | 42 | 3 | 0.0 | 0.090 | 0.117 | (0;000) | ✗ | 27/01/17 |
Rb3Bi | ICSD | 616996 | Fm-3m (225) | ✔ | 4 | 42 | 1 | 0.0996 | 0.410 | 0.000 | (0;000) | ✗ | 05/01/17 |
Cs2HgO2 | ICSD | 25513 | I4/mmm (139) | ✔ | 5 | 42 | 2 | 1.9742 | 1.974 | 0.000 | (0;000) | ✗ | 27/01/17 |
CsCdBr3 | COD | 1010122 | Pm-3m (221) | ✔ | 5 | 42 | 3 | 0.8231 | 1.294 | 0.000 | (0;000) | ✗ | 27/01/17 |
CsHgBr3 | COD | 1010118 | Pm-3m (221) | ✔ | 5 | 42 | 3 | 0.0 | 0.000 | 0.157 | (1;000) | ✗ | 27/01/17 |
Li2FeBr4 | ICSD | 82199 | Cmmm (65) | ✔ | 7 | 42 | 2 | 0.4178 | 0.418 | 0.000 | (0;000) | ✗ | 27/01/17 |
NaO2 | ICSD | 180562 | Pmnn (58) | ✔ | 6 | 42 | 1 | 0.0 | 0.000 | 0.985 | (0;110) | ✗ | 06/10/16 |
HgC2(SN)2 | ICSD | 10304 | C2/m (12) | ✔ | 7 | 42 | 2 | 2.286 | 2.380 | 0.000 | (0;000) | ✗ | 27/01/17 |
InPS4 | ICSD | 1699 | I-4 (82) | ✗ | 6 | 42 | 3 | 2.4577 | 2.557 | 0.000 | (0;000) | ✗ | 06/10/16 |
InPS4 | ICSD | 23612 | I-4 (82) | ✗ | 6 | 42 | 1 | 0.0 | 0.012 | 0.255 | (0;001) | ✔ | 06/10/16 |
InPS4 | ICSD | 640195 | I-4 (82) | ✗ | 6 | 42 | 3 | 2.5278 | 2.613 | 0.000 | (0;000) | ✗ | 06/10/16 |
CsHgCl3 | COD | 1010121 | Pm-3m (221) | ✔ | 5 | 42 | 3 | 0.0 | 0.397 | 0.385 | (0;000) | ✗ | 27/01/17 |
Ca2RuH6 | ICSD | 656082 | Fm-3m (225) | ✔ | 9 | 42 | 2 | 2.043 | 2.043 | 0.000 | (0;000) | ✗ | 27/01/17 |
Ca2ZnN2 | COD | 1005002 | I4/mmm (139) | ✔ | 5 | 42 | 1 | 0.7565 | 0.981 | 0.000 | (0;000) | ✗ | 27/01/17 |
Ca(CuP)2 | ICSD | 41756 | I4/mmm (139) | ✔ | 5 | 42 | 2 | 0.0 | 0.004 | 0.354 | (1;111) | ✗ | 27/01/17 |
Ta2CS2 | ICSD | 23791 | R-3m (166) | ✔ | 5 | 42 | 2 | 0.0 | 0.045 | 0.371 | (1;111) | ✗ | 27/01/17 |
KHgF3 | COD | 1527535 | Pm-3m (221) | ✔ | 5 | 42 | 3 | 0.307 | 3.551 | 0.000 | (0;000) | ✗ | 27/01/17 |
Ca(ZnGe)2 | ICSD | 25319 | I4/mmm (139) | ✔ | 5 | 42 | 3 | 0.0 | 0.031 | 0.386 | (1;111) | ✗ | 27/01/17 |
Nb2CS2 | COD | 1532142 | P-3m1 (164) | ✔ | 5 | 42 | 2 | 0.0 | 0.034 | 0.307 | (1;001) | ✗ | 27/01/17 |
CaSnO3 | ICSD | 27777 | Pm-3m (221) | ✔ | 5 | 42 | 3 | 0.0 | 0.000 | 0.845 | (1;111) | ✗ | 27/01/17 |
Ta2CS2 | ICSD | 23790 | P-3m1 (164) | ✔ | 5 | 42 | 2 | 0.0 | 0.028 | 0.262 | (1;001) | ✗ | 27/01/17 |
CaSnO3 | ICSD | 56095 | Pm-3m (221) | ✔ | 5 | 42 | 3 | 2.8282 | 3.851 | 0.000 | (0;000) | ✗ | 27/01/17 |
RbHgF3 | COD | 1527534 | Pm-3m (221) | ✔ | 5 | 42 | 3 | 0.4004 | 3.302 | 0.000 | (0;000) | ✗ | 27/01/17 |
Nb2CS2 | COD | 1532143 | R-3m (166) | ✔ | 5 | 42 | 2 | 0.0 | 0.017 | 0.340 | (0;111) | ✗ | 27/01/17 |
Ca(ZnSi)2 | ICSD | 59649 | I4/mmm (139) | ✔ | 5 | 42 | 3 | 0.0 | 0.007 | 0.413 | (0;000) | ✗ | 27/01/17 |
Zr2Ga | COD | 1524521 | I4/mcm (140) | ✔ | 6 | 42 | 3 | 0.0 | 0.000 | 0.620 | (0;111) | ✗ | 27/01/17 |
Sr(CdGe)2 | ICSD | 25331 | I4/mmm (139) | ✔ | 5 | 42 | 3 | 0.0 | 0.013 | 0.384 | (1;111) | ✗ | 27/01/17 |
CaAg | ICSD | 57352 | Ccmm (63) | ✔ | 4 | 42 | 1 | 0.0 | 0.000 | 0.621 | (0;110) | ✗ | 06/10/16 |
Sr(ZnGe)2 | ICSD | 411 | I4/mmm (139) | ✔ | 5 | 42 | 3 | 0.0 | 0.011 | 0.303 | (1;111) | ✗ | 27/01/17 |
CsCdCl3 | COD | 1010123 | Pm-3m (221) | ✔ | 5 | 42 | 3 | 1.8314 | 2.333 | 0.000 | (0;000) | ✗ | 27/01/17 |
CsCdF3 | ICSD | 49582 | Pm-3m (221) | ✔ | 5 | 42 | 3 | 3.4268 | 4.435 | 0.000 | (0;000) | ✗ | 27/01/17 |
KCdF3 | ICSD | 44788 | Pm-3m (221) | ✔ | 5 | 42 | 3 | 3.1149 | 5.088 | 0.000 | (0;000) | ✗ | 27/01/17 |
RbCdF3 | ICSD | 49587 | Pm-3m (221) | ✔ | 5 | 42 | 3 | 3.215 | 4.812 | 0.000 | (0;000) | ✗ | 27/01/17 |
CdPt3 | ICSD | 24931 | Cmmm (65) | ✔ | 4 | 42 | 3 | 0.0 | 0.014 | 0.848 | (1;111) | ✗ | 27/01/17 |
Fe3SnC | ICSD | 76842 | Pm-3m (221) | ✔ | 5 | 42 | 3 | 0.0 | 0.003 | 0.465 | (1;000) | ✗ | 27/01/17 |
H5CBrN | COD | 2227485 | C2/m (12) | ✔ | 16 | 42 | 1 | 4.616 | 4.657 | 0.000 | (0;000) | ✗ | 27/01/17 |
ZnSO4 | ICSD | 2456 | F-43m (216) | ✗ | 6 | 42 | 3 | 5.0558 | 5.367 | 0.000 | (0;000) | ✗ | 06/10/16 |
CuAs2 | ICSD | 610303 | Pnnm (58) | ✔ | 6 | 42 | 3 | 0.0 | 0.000 | 0.929 | (0;110) | ✗ | 05/01/17 |
TiGeSb | COD | 2223219 | P4/nmm (129) | ✔ | 6 | 42 | 3 | 0.0 | 0.000 | 0.901 | (1;000) | ✗ | 27/01/17 |
SrSnO3 | ICSD | 27047 | Pm-3m (221) | ✔ | 5 | 42 | 3 | 1.766 | 2.562 | 0.000 | (0;000) | ✗ | 27/01/17 |
HgPt3 | ICSD | 24930 | Cmmm (65) | ✔ | 4 | 42 | 3 | 0.0 | 0.014 | 0.828 | (1;111) | ✗ | 27/01/17 |
FeHO2 | COD | 1527237 | Cmc2_1 (36) | ✗ | 8 | 42 | 2 | 0.0 | 0.000 | 0.641 | ? | ✗ | 15/02/17 |
BaBeSiO4 | ICSD | 86792 | Cm (8) | ✗ | 7 | 42 | 1 | 4.4044 | 4.449 | 0.000 | (0;000) | ✗ | 15/02/17 |
H3C5I2N | COD | 2012993 | Fmm2 (42) | ✗ | 11 | 42 | 1 | 3.0403 | 3.220 | 0.000 | (0;000) | ✗ | 15/02/17 |
ZrIr | ICSD | 657956 | P2_1/m (11) | ✔ | 4 | 42 | 3 | 0.0 | 0.000 | 0.743 | (1;001) | ✗ | 27/01/17 |
ZrVGe | ICSD | 88210 | I4/mmm (139) | ✔ | 6 | 42 | 3 | 0.0 | 0.014 | 0.710 | (0;111) | ✗ | 27/01/17 |
TiPt3 | ICSD | 649771 | Pm-3m (221) | ✔ | 4 | 42 | 3 | 0.0 | 0.000 | 0.343 | (0;111) | ✗ | 27/01/17 |
LiGe | ICSD | 60843 | I4_1/amd (141) | ✔ | 12 | 42 | 1 | 0.0 | 0.000 | 0.849 | (1;111) | ✗ | 22/03/17 |
Sr2ZnN2 | COD | 1005019 | I4/mmm (139) | ✔ | 5 | 42 | 1 | 0.6805 | 0.681 | 0.000 | (0;000) | ✗ | 27/01/17 |
HgPt3 | ICSD | 639147 | Pm-3m (221) | ✔ | 4 | 42 | 3 | 0.0 | 0.000 | 0.463 | (1;000) | ✗ | 27/01/17 |
ZnPt3 | COD | 1522607 | Pm-3m (221) | ✔ | 4 | 42 | 3 | 0.0 | 0.076 | 0.406 | (0;000) | ✗ | 27/01/17 |
LiB(CN)4 | COD | 4308584 | P-43m (215) | ✗ | 10 | 42 | 1 | 6.563 | 6.689 | 0.000 | (0;000) | ✗ | 15/02/17 |
MnS | COD | 9008871 | P6_3mc (186) | ✗ | 4 | 42 | 3 | 0.0 | 0.000 | 0.756 | ? | ✗ | 15/02/17 |
Ni3S2 | COD | 9000564 | R32 (155) | ✗ | 5 | 42 | 3 | 0.0 | 0.001 | 0.545 | ? | ✗ | 15/02/17 |
MnTe | COD | 9008873 | P6_3mc (186) | ✗ | 4 | 42 | 3 | 0.0 | 0.000 | 0.743 | ? | ✗ | 15/02/17 |
NaO2 | ICSD | 87181 | Pnnm (58) | ✔ | 6 | 42 | 1 | 0.0 | 0.000 | 0.983 | (0;101) | ✗ | 27/01/17 |
ZrVSi | COD | 9008332 | P4/nmm (129) | ✔ | 6 | 42 | 3 | 0.0 | 0.000 | 0.805 | (0;000) | ✗ | 27/01/17 |
Na2HgO2 | ICSD | 27409 | I4/mmm (139) | ✔ | 5 | 42 | 1 | 1.7526 | 1.883 | 0.000 | (0;000) | ✗ | 27/01/17 |
FeHO2 | ICSD | 420002 | Pmn2_1 (31) | ✗ | 8 | 42 | 3 | 0.0 | 0.000 | 0.486 | ? | ✗ | 15/02/17 |
MnSe | ICSD | 76218 | P6_3/mmc (194) | ✔ | 4 | 42 | 3 | 0.0 | 0.000 | 0.684 | (0;000) | ✗ | 27/01/17 |
Cs3Bi | ICSD | 659568 | Fm-3m (225) | ✔ | 4 | 42 | 1 | 0.1791 | 0.627 | 0.000 | (0;000) | ✗ | 02/02/17 |
Sr2H6Ru | ICSD | 655142 | Fm-3m (225) | ✔ | 9 | 42 | 1 | 2.2212 | 2.291 | 0.000 | (0;000) | ✗ | 27/01/17 |
SrMoO3 | ICSD | 174207 | Pm-3m (221) | ✔ | 5 | 42 | 3 | 0.0 | 0.000 | 0.772 | (0;000) | ✗ | 27/01/17 |
SrMoO3 | ICSD | 174206 | Pm-3m (221) | ✔ | 5 | 42 | 3 | 0.0 | 0.000 | 0.772 | (0;000) | ✗ | 27/01/17 |
Cs(BH)3 | ICSD | 65508 | Fm-3m (225) | ✔ | 14 | 42 | 2 | 4.0127 | 4.210 | 0.000 | (0;000) | ✗ | 02/02/17 |
ZrRh | ICSD | 657955 | P2_1/m (11) | ✔ | 4 | 42 | 3 | 0.0 | 0.000 | 0.863 | (1;001) | ✗ | 27/01/17 |
AgClO4 | COD | 1010574 | F-43m (216) | ✗ | 6 | 42 | 1 | 2.4263 | 2.431 | 0.000 | (0;000) | ✗ | 15/02/17 |
MnTe | COD | 9008901 | P6_3/mmc (194) | ✔ | 4 | 42 | 3 | 0.0 | 0.001 | 0.613 | (0;000) | ✗ | 27/01/17 |
MnSe | COD | 9008872 | P6_3mc (186) | ✗ | 4 | 42 | 3 | 0.0 | 0.000 | 0.726 | ? | ✗ | 15/02/17 |
Ti2Pd | COD | 1522585 | I4/mmm (139) | ✔ | 3 | 42 | 3 | 0.0 | 0.008 | 0.664 | (1;000) | ✗ | 27/01/17 |