▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▴ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Ba(PdS2)2 | ICSD | 79930 | P2_1/m (11) | ✔ | 14 | 140 | 3 | 0.8771 | 1.024 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ba(SbPd)2 | ICSD | 604350 | P4/nmm (129) | ✔ | 10 | 112 | 3 | 0.0 | 0.005 | 0.787 | (0;000) | ✗ | 02/02/17 |
ReNCl4 | ICSD | 419181 | I4 (79) | ✗ | 6 | 48 | 2 | 1.0756 | 1.276 | 0.000 | (0;000) | ✗ | 06/10/16 |
BaPdS2 | ICSD | 63588 | Cmcm (63) | ✔ | 8 | 80 | 1 | 0.2276 | 0.228 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ba2MnReO6 | ICSD | 109256 | Fm-3m (225) | ✔ | 10 | 86 | 3 | 0.0 | 0.167 | 0.107 | (0;000) | ✗ | 05/01/17 |
BaPS3 | ICSD | 412764 | P2_1/c (14) | ✔ | 20 | 132 | 1 | 3.1945 | 3.195 | 0.000 | (0;000) | ✗ | 02/02/17 |
BaPSe3 | ICSD | 412768 | P2_1/c (14) | ✔ | 20 | 132 | 1 | 2.2266 | 2.278 | 0.000 | (0;000) | ✗ | 02/02/17 |
BiI3 | ICSD | 78791 | R-3 (148) | ✔ | 8 | 72 | 2 | 1.2702 | 1.298 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ba2NiMoO6 | ICSD | 98192 | Fm-3m (225) | ✔ | 10 | 80 | 3 | 0.0 | 0.000 | 0.784 | (0;000) | ✗ | 05/01/17 |
Ba(Sb3Ru)4 | ICSD | 616049 | Im3 (204) | ✔ | 17 | 134 | 3 | 0.0 | 0.022 | 0.455 | (0;000) | ✗ | 02/02/17 |
BaSnS2 | ICSD | 2587 | P2_1/c (14) | ✔ | 16 | 144 | 1 | 1.7505 | 1.836 | 0.000 | (0;000) | ✗ | 02/02/17 |
BaSnS3 | ICSD | 616071 | Pnma (62) | ✔ | 20 | 168 | 2 | 0.9252 | 1.180 | 0.000 | (0;000) | ✗ | 02/02/17 |
BaTaS3 | COD | 4343774 | P6_3/mmc (194) | ✔ | 10 | 82 | 1 | 0.0 | 0.000 | 0.573 | (0;000) | ✗ | 02/02/17 |
BaTeS3 | ICSD | 8 | Pnma (62) | ✔ | 20 | 136 | 1 | 1.8106 | 2.025 | 0.000 | (0;000) | ✗ | 02/02/17 |
BaTiS3 | COD | 2310546 | P6_3/mmc (194) | ✔ | 10 | 80 | 1 | 0.0 | 0.019 | 0.133 | (0;000) | ✗ | 02/02/17 |
BaVS3 | COD | 1008062 | P6_3/mmc (194) | ✔ | 10 | 82 | 1 | 0.0 | 0.000 | 0.424 | (0;000) | ✗ | 02/02/17 |
GePd | ICSD | 659798 | Pmnb (62) | ✔ | 8 | 56 | 3 | 0.0 | 0.023 | 0.396 | (0;000) | ✗ | 06/10/16 |
BaZrS3 | ICSD | 616104 | Pnma (62) | ✔ | 20 | 128 | 3 | 0.796 | 0.796 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ba2ZnN2 | COD | 1005020 | I4/mmm (139) | ✔ | 5 | 42 | 1 | 0.4276 | 0.537 | 0.000 | (0;000) | ✗ | 05/01/17 |
Ba2NaReO6 | ICSD | 200876 | Fm-3m (225) | ✔ | 10 | 80 | 1 | 2.1561 | 2.227 | 0.000 | (0;000) | ✗ | 05/01/17 |
Ba(ZnSb)2 | ICSD | 32020 | Pnma (62) | ✔ | 20 | 176 | 3 | 0.0 | 0.015 | 0.060 | (0;000) | ✗ | 02/02/17 |
BaTaSe3 | ICSD | 659547 | P6_3/mmc (194) | ✔ | 10 | 82 | 1 | 0.0 | 0.000 | 0.422 | (0;000) | ✗ | 02/02/17 |
GePt | ICSD | 2624 | Pmnb (62) | ✔ | 8 | 56 | 3 | 0.0 | 0.038 | 0.320 | (0;000) | ✗ | 06/10/16 |
BaVSe3 | COD | 1521756 | P6_3/mmc (194) | ✔ | 10 | 82 | 1 | 0.0 | 0.000 | 0.358 | (0;000) | ✗ | 02/02/17 |
BaZrSe3 | ICSD | 616136 | P6_3/mmc (194) | ✔ | 10 | 64 | 1 | 0.0 | 0.005 | 0.254 | (0;000) | ✗ | 02/02/17 |
Ba2YNbO6 | ICSD | 172407 | Fm-3m (225) | ✔ | 10 | 80 | 3 | 3.1567 | 3.157 | 0.000 | (0;000) | ✗ | 05/01/17 |
SiC | ICSD | 107204 | P3m1 (156) | ✗ | 10 | 40 | 3 | 1.7282 | 2.854 | 0.000 | (0;000) | ✗ | 06/10/16 |
BaSn3 | COD | 1508415 | P6_3/mmc (194) | ✔ | 8 | 104 | 1 | 0.0 | 0.005 | 0.754 | (0;000) | ✗ | 02/02/17 |
BaS | COD | 9016579 | Pnma (62) | ✔ | 8 | 64 | 1 | 1.0583 | 1.097 | 0.000 | (0;000) | ✗ | 02/02/17 |
BaTe2 | ICSD | 80280 | I4/mcm (140) | ✔ | 6 | 44 | 1 | 0.3666 | 1.130 | 0.000 | (0;000) | ✗ | 02/02/17 |
NiO | ICSD | 246910 | R-3m (166) | ✔ | 2 | 16 | 3 | 0.0 | 0.000 | 0.631 | (0;000) | ✔ | 06/10/16 |
Ba3BPO3 | ICSD | 402017 | P6_3/mmc (194) | ✔ | 16 | 112 | 1 | 1.4131 | 1.767 | 0.000 | (0;000) | ✗ | 02/02/17 |
BaBiBS4 | COD | 4316058 | C2/m (12) | ✔ | 14 | 104 | 1 | 1.6965 | 1.890 | 0.000 | (0;000) | ✗ | 02/02/17 |
BaGaBO3F2 | ICSD | 91315 | P6_3/m (176) | ✔ | 16 | 116 | 2 | 5.2302 | 5.579 | 0.000 | (0;000) | ✗ | 02/02/17 |
BiBO3 | COD | 7209481 | P2_1/c (14) | ✔ | 20 | 144 | 3 | 2.9857 | 2.986 | 0.000 | (0;000) | ✗ | 02/02/17 |
BBr3 | COD | 1511460 | P6_3/m (176) | ✔ | 8 | 48 | 1 | 3.5808 | 3.886 | 0.000 | (0;000) | ✗ | 02/02/17 |
Sc7BCl12 | COD | 1511042 | R-3 (148) | ✔ | 20 | 164 | 3 | 0.0 | 0.000 | 0.743 | (0;000) | ✗ | 02/02/17 |
KZnB(H2Cl)2 | ICSD | 174294 | P2_1/m (11) | ✔ | 18 | 84 | 1 | 4.9323 | 4.932 | 0.000 | (0;000) | ✗ | 02/02/17 |
BCl3 | COD | 1511049 | P6_3/m (176) | ✔ | 8 | 48 | 1 | 3.2405 | 3.349 | 0.000 | (0;000) | ✗ | 02/02/17 |
BCl | COD | 9008995 | P4_2/nmc (137) | ✔ | 16 | 80 | 2 | 3.0503 | 3.056 | 0.000 | (0;000) | ✗ | 02/02/17 |
Cr5Si3B | ICSD | 613552 | P6_3/mcm (193) | ✔ | 18 | 170 | 3 | 0.0 | 0.000 | 0.921 | (0;000) | ✗ | 02/02/17 |
Cs3BP2 | COD | 8103455 | C2/c (15) | ✔ | 12 | 80 | 1 | 1.8676 | 1.908 | 0.000 | (0;000) | ✗ | 02/02/17 |
CsNa2BO3 | ICSD | 67524 | Pmmn (59) | ✔ | 14 | 96 | 1 | 3.5967 | 3.648 | 0.000 | (0;000) | ✗ | 02/02/17 |
CsBSe3 | COD | 1511083 | P2_1/c (14) | ✔ | 20 | 120 | 1 | 1.7859 | 1.948 | 0.000 | (0;000) | ✗ | 02/02/17 |
Rb3NaBe2F8 | COD | 1008068 | P-3m1 (164) | ✔ | 14 | 100 | 1 | 6.6979 | 6.755 | 0.000 | (0;000) | ✗ | 02/02/17 |
Be2Ru | ICSD | 616410 | P6_3/mmc (194) | ✔ | 12 | 96 | 1 | 0.0 | 0.003 | 0.511 | (0;000) | ✗ | 02/02/17 |
Bi | ICSD | 187502 | Cmce (64) | ✔ | 8 | 120 | 3 | 0.0 | 0.028 | 0.332 | (0;000) | ✗ | 02/02/17 |
CsBeH3 | COD | 4343938 | P2_1/m (11) | ✔ | 10 | 32 | 1 | 3.2267 | 3.555 | 0.000 | (0;000) | ✗ | 02/02/17 |
KBeH3 | COD | 4343937 | P2_1/c (14) | ✔ | 20 | 64 | 1 | 3.2474 | 3.247 | 0.000 | (0;000) | ✗ | 02/02/17 |
RbBeH3 | COD | 4343941 | P2_1/c (14) | ✔ | 20 | 64 | 1 | 3.2803 | 3.280 | 0.000 | (0;000) | ✗ | 02/02/17 |
BeI2 | COD | 1526852 | Ibam (72) | ✔ | 6 | 36 | 1 | 3.5201 | 3.752 | 0.000 | (0;000) | ✗ | 02/02/17 |
K2BeO2 | ICSD | 23633 | P2_1/c (14) | ✔ | 20 | 136 | 3 | 3.1261 | 3.253 | 0.000 | (0;000) | ✗ | 02/02/17 |
K4BeP2 | ICSD | 300110 | R-3m (166) | ✔ | 7 | 50 | 1 | 1.1639 | 1.189 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ba2NiWO6 | ICSD | 28342 | Fm-3m (225) | ✔ | 10 | 80 | 3 | 0.0 | 0.000 | 0.684 | (0;000) | ✗ | 05/01/17 |
Mg3B(OF)3 | COD | 9009572 | P6_3/m (176) | ✔ | 20 | 144 | 3 | 5.6931 | 5.716 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ba2PdO3 | COD | 1000071 | Immm (71) | ✔ | 6 | 56 | 1 | 0.0 | 0.488 | 0.043 | (0;000) | ✗ | 05/01/17 |
CoSbS | ICSD | 40044 | Pmn2_1 (31) | ✗ | 6 | 40 | 3 | 0.0 | 0.367 | 0.147 | (0;000) | ✔ | 06/10/16 |
Ba2PbO4 | ICSD | 27113 | I4/mmm (139) | ✔ | 7 | 58 | 2 | 1.7811 | 2.445 | 0.000 | (0;000) | ✗ | 05/01/17 |
Ba2SnO4 | ICSD | 27115 | I4/mmm (139) | ✔ | 7 | 58 | 2 | 2.9448 | 3.211 | 0.000 | (0;000) | ✗ | 05/01/17 |
Cs3Bi2Br9 | COD | 2106376 | P-3m1 (164) | ✔ | 14 | 120 | 2 | 1.7199 | 1.866 | 0.000 | (0;000) | ✗ | 02/02/17 |
InBi2Se4Br | ICSD | 159465 | C2/m (12) | ✔ | 16 | 148 | 3 | 0.9314 | 0.934 | 0.000 | (0;000) | ✗ | 02/02/17 |
CaMnBi2 | COD | 7221108 | P4/nmm (129) | ✔ | 8 | 110 | 1 | 0.0 | 0.000 | 0.864 | (0;000) | ✗ | 02/02/17 |
TlBi2Cl7 | ICSD | 421318 | P-1 (2) | ✔ | 20 | 184 | 3 | 2.7397 | 2.804 | 0.000 | (0;000) | ✗ | 02/02/17 |
Hg3Bi2(SCl4)2 | ICSD | 237618 | C2/m (12) | ✔ | 15 | 134 | 3 | 2.5966 | 2.597 | 0.000 | (0;000) | ✗ | 02/02/17 |
SiC | ICSD | 164973 | F-43m (216) | ✗ | 2 | 8 | 3 | 1.3623 | 4.548 | 0.000 | (0;000) | ✗ | 06/10/16 |
Cs2NiBi2 | ICSD | 658704 | Cmcm (63) | ✔ | 10 | 116 | 3 | 0.3142 | 0.314 | 0.000 | (0;000) | ✗ | 02/02/17 |
Cs2Bi2Pd | ICSD | 658703 | Cmcm (63) | ✔ | 10 | 132 | 3 | 0.4422 | 0.496 | 0.000 | (0;000) | ✗ | 02/02/17 |
Cs2Bi2Pt | ICSD | 658701 | Cmcm (63) | ✔ | 10 | 116 | 3 | 0.6288 | 0.810 | 0.000 | (0;000) | ✗ | 02/02/17 |
GeS | ICSD | 1256 | Pmcn (62) | ✔ | 8 | 40 | 2 | 1.1038 | 1.104 | 0.000 | (0;000) | ✗ | 06/10/16 |
CsBi2 | ICSD | 58771 | Fd-3m (227) | ✔ | 6 | 78 | 3 | 0.0 | 0.000 | 0.599 | (0;000) | ✗ | 02/02/17 |
Ba2ZrO4 | ICSD | 39707 | I4/mmm (139) | ✔ | 7 | 48 | 3 | 2.3896 | 2.397 | 0.000 | (0;000) | ✗ | 05/01/17 |
Hg(BiS2)2 | COD | 9011213 | C2/m (12) | ✔ | 14 | 132 | 3 | 0.756 | 0.765 | 0.000 | (0;000) | ✗ | 02/02/17 |
Bi2Ir | ICSD | 616739 | P2_1/c (14) | ✔ | 12 | 188 | 3 | 0.0 | 0.154 | 0.167 | (0;000) | ✗ | 02/02/17 |
Mg(BiO3)2 | ICSD | 50005 | P4_2/mnm (136) | ✔ | 18 | 152 | 3 | 0.0 | 0.008 | 0.035 | (0;000) | ✗ | 02/02/17 |
MnNi(BiO3)2 | ICSD | 153857 | P2_1/c (14) | ✔ | 20 | 182 | 3 | 0.0 | 0.000 | 0.877 | (0;000) | ✗ | 02/02/17 |
Ba2YReO6 | ICSD | 168216 | Fm-3m (225) | ✔ | 10 | 82 | 3 | 0.0 | 0.000 | 0.444 | (0;000) | ✗ | 05/01/17 |
Zn3CrSe4 | ICSD | 186188 | P-43m (215) | ✗ | 8 | 74 | 3 | 0.0 | 0.045 | 0.111 | (0;000) | ✔ | 06/10/16 |
Bi2MoO6 | ICSD | 37251 | Cmce (64) | ✔ | 18 | 160 | 3 | 0.3995 | 0.401 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ba2YSbO6 | ICSD | 163373 | Fm-3m (225) | ✔ | 10 | 72 | 3 | 3.9063 | 3.906 | 0.000 | (0;000) | ✗ | 05/01/17 |
Ti4NiBi2 | ICSD | 150148 | I4/mcm (140) | ✔ | 14 | 176 | 3 | 0.0 | 0.001 | 0.464 | (0;000) | ✗ | 02/02/17 |
NiO2 | ICSD | 88720 | C2/m (12) | ✔ | 3 | 22 | 2 | 0.9834 | 1.142 | 0.000 | (0;000) | ✗ | 06/10/16 |
Bi2O3 | COD | 4332559 | Pccn (56) | ✔ | 20 | 192 | 3 | 2.313 | 2.314 | 0.000 | (0;000) | ✗ | 02/02/17 |
Bi2O3 | COD | 9012546 | P2_1/c (14) | ✔ | 20 | 192 | 3 | 2.2166 | 2.249 | 0.000 | (0;000) | ✗ | 02/02/17 |
Sr(BiO2)2 | ICSD | 80668 | C2/m (12) | ✔ | 14 | 128 | 1 | 0.3368 | 0.827 | 0.000 | (0;000) | ✗ | 02/02/17 |
Bi2TeO6 | ICSD | 6239 | Cmce (64) | ✔ | 18 | 144 | 3 | 1.7449 | 1.745 | 0.000 | (0;000) | ✗ | 02/02/17 |
GeSe | ICSD | 17006 | Pmcn (62) | ✔ | 8 | 40 | 2 | 0.5998 | 0.700 | 0.000 | (0;000) | ✗ | 06/10/16 |
Zn3CrTe4 | ICSD | 186189 | P-43m (215) | ✗ | 8 | 74 | 3 | 0.0 | 0.019 | 0.140 | (0;000) | ✔ | 06/10/16 |
Ba2SrTeO6 | ICSD | 246109 | R-3 (148) | ✔ | 10 | 72 | 3 | 2.991 | 3.038 | 0.000 | (0;000) | ✗ | 05/01/17 |
Sr(BiPd)2 | ICSD | 604338 | P4/nmm (129) | ✔ | 10 | 152 | 3 | 0.0 | 0.010 | 0.832 | (0;000) | ✗ | 02/02/17 |
Nb2CrSe4 | ICSD | 23476 | Cm (8) | ✗ | 7 | 64 | 3 | 0.0 | 0.009 | 0.331 | (0;000) | ✔ | 06/10/16 |
Ba2SrWO6 | ICSD | 246115 | R-3 (148) | ✔ | 10 | 80 | 1 | 3.0139 | 3.014 | 0.000 | (0;000) | ✗ | 05/01/17 |
Bi2Pt | COD | 9012882 | Pa3 (205) | ✔ | 12 | 160 | 3 | 0.0 | 0.009 | 0.123 | (0;000) | ✗ | 02/02/17 |
Ba2YTaO6 | ICSD | 171173 | Fm-3m (225) | ✔ | 10 | 80 | 3 | 3.2003 | 3.200 | 0.000 | (0;000) | ✗ | 05/01/17 |
Ba2ZrTiO6 | ICSD | 189098 | R-3m (166) | ✔ | 10 | 72 | 3 | 2.1463 | 2.146 | 0.000 | (0;000) | ✗ | 05/01/17 |
Ba2ZnWO6 | ICSD | 24983 | Fm-3m (225) | ✔ | 10 | 82 | 3 | 3.82 | 3.896 | 0.000 | (0;000) | ✗ | 05/01/17 |
Bi2S3 | COD | 9007404 | Pnma (62) | ✔ | 20 | 192 | 3 | 0.6092 | 0.630 | 0.000 | (0;000) | ✗ | 02/02/17 |
Bi2Se3 | COD | 9013424 | Pnma (62) | ✔ | 20 | 192 | 2 | 0.5823 | 0.586 | 0.000 | (0;000) | ✗ | 02/02/17 |
SrZnBi2 | ICSD | 41924 | I4/mmm (139) | ✔ | 8 | 104 | 1 | 0.0 | 0.031 | 0.134 | (0;000) | ✗ | 02/02/17 |
Bi3Se4Br | ICSD | 411096 | C2/m (12) | ✔ | 16 | 152 | 3 | 0.5735 | 0.606 | 0.000 | (0;000) | ✗ | 02/02/17 |
Bi3ClO4 | COD | 8101670 | C2/c (15) | ✔ | 16 | 152 | 2 | 2.3289 | 2.362 | 0.000 | (0;000) | ✗ | 02/02/17 |