▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▴ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Ti5CuSb2 | ICSD | 159248 | I4/mcm (140) | ✔ | 16 | 162 | 3 | 0.0 | 0.001 | 0.677 | (1;000) | ✗ | 02/02/17 |
Zr5CuSb3 | ICSD | 629010 | P6_3/mcm (193) | ✔ | 18 | 92 | 3 | 0.0 | 0.001 | 0.587 | (0;000) | ✗ | 02/02/17 |
CuSbSe2 | ICSD | 418754 | Pnma (62) | ✔ | 16 | 112 | 3 | 0.5026 | 0.553 | 0.000 | (0;000) | ✗ | 02/02/17 |
CuSe2 | COD | 9011302 | Pa3 (205) | ✔ | 12 | 92 | 3 | 0.0 | 0.000 | 0.729 | (0;111) | ✗ | 02/02/17 |
ZrTlCuSe3 | ICSD | 82561 | Cmcm (63) | ✔ | 12 | 92 | 3 | 0.1992 | 0.238 | 0.000 | (0;000) | ✗ | 02/02/17 |
CuSe | COD | 9000063 | P6_3/mmc (194) | ✔ | 12 | 102 | 3 | 0.0 | 0.000 | 0.949 | (1;001) | ✗ | 02/02/17 |
Zr2Si4Cu | ICSD | 629240 | Cmcm (63) | ✔ | 14 | 70 | 3 | 0.0 | 0.000 | 0.849 | (0;110) | ✗ | 02/02/17 |
SrCuSn2 | COD | 7221228 | Cmcm (63) | ✔ | 8 | 98 | 3 | 0.0 | 0.000 | 0.797 | (1;110) | ✗ | 02/02/17 |
Zr5CuSn3 | ICSD | 656297 | P6_3/mcm (193) | ✔ | 18 | 146 | 3 | 0.0 | 0.000 | 0.990 | (1;000) | ✗ | 02/02/17 |
ZrCuSn | ICSD | 190123 | Pnma (62) | ✔ | 12 | 116 | 3 | 0.0 | 0.000 | 0.402 | (1;011) | ✗ | 02/02/17 |
CuS | COD | 1010920 | P6_3/mmc (194) | ✔ | 12 | 102 | 3 | 0.0 | 0.000 | 0.845 | (0;000) | ✗ | 02/02/17 |
YGe | ICSD | 638143 | Cmcm (63) | ✔ | 4 | 30 | 3 | 0.0 | 0.000 | 0.745 | (0;110) | ✗ | 27/01/17 |
CuTe2 | ICSD | 629329 | Pa3 (205) | ✔ | 12 | 92 | 3 | 0.0 | 0.000 | 0.676 | (1;111) | ✗ | 02/02/17 |
TiTlCuTe3 | ICSD | 81571 | P2_1/m (11) | ✔ | 12 | 108 | 3 | 0.0268 | 0.088 | 0.000 | (0;000) | ✗ | 02/02/17 |
Tl4CuTe3 | ICSD | 629347 | I4/mcm (140) | ✔ | 16 | 162 | 3 | 2.3512 | 0.004 | 1.000 | (0;000) | ✗ | 02/02/17 |
NaZr2FeF11 | COD | 2004076 | C2/m (12) | ✔ | 15 | 102 | 3 | 0.7069 | 0.731 | 0.000 | (0;000) | ✗ | 02/02/17 |
NaZr2NiF11 | COD | 2004078 | C2/m (12) | ✔ | 15 | 104 | 3 | 0.0 | 0.003 | 0.037 | (0;000) | ✗ | 02/02/17 |
NaZr2PdF11 | ICSD | 77241 | C2/m (12) | ✔ | 15 | 112 | 3 | 0.0 | 0.004 | 0.058 | (0;000) | ✗ | 02/02/17 |
NaZr2TiF11 | ICSD | 78867 | C2/m (12) | ✔ | 15 | 106 | 3 | 0.0 | 0.015 | 0.782 | (0;000) | ✗ | 02/02/17 |
NaZr2ZnF11 | COD | 2004079 | C2/m (12) | ✔ | 15 | 106 | 3 | 5.5858 | 5.611 | 0.000 | (0;000) | ✗ | 02/02/17 |
CoMoP2 | ICSD | 624219 | P6_3/mmc (194) | ✔ | 8 | 82 | 3 | 0.0 | 0.000 | 0.623 | (0;000) | ✗ | 27/01/17 |
MnAs | ICSD | 184925 | F-43m (216) | ✗ | 2 | 20 | 3 | 0.0 | 0.038 | 0.075 | (0;000) | ✔ | 06/10/16 |
CN2 | ICSD | 247678 | I-4m2 (119) | ✗ | 3 | 14 | 3 | 0.1717 | 0.173 | 0.000 | (0;000) | ✔ | 06/10/16 |
Cr2Se3 | ICSD | 106520 | R-3 (148) | ✔ | 10 | 92 | 3 | 0.0 | 0.011 | 0.356 | (1;000) | ✗ | 06/10/16 |
BC2N | ICSD | 191801 | Cm (8) | ✗ | 8 | 32 | 3 | 0.2449 | 0.355 | 0.000 | (0;000) | ✔ | 06/10/16 |
Ga2Au | ICSD | 188888 | Pnma (62) | ✔ | 12 | 148 | 3 | 0.0 | 0.007 | 0.830 | (1;011) | ✗ | 05/01/17 |
BC2N | ICSD | 191802 | P1 (1) | ✗ | 8 | 32 | 3 | 0.1899 | 0.191 | 0.000 | (0;000) | ✔ | 06/10/16 |
Ga2Au | ICSD | 188889 | P2_1/c (14) | ✔ | 12 | 148 | 3 | 0.0 | 0.018 | 0.716 | (1;000) | ✗ | 05/01/17 |
GaAuO2 | COD | 1510152 | P6_3/mmc (194) | ✔ | 8 | 72 | 3 | 0.0 | 1.214 | 0.114 | (0;000) | ✗ | 05/01/17 |
NbN | ICSD | 191062 | P-6m2 (187) | ✗ | 2 | 18 | 3 | 0.0 | 0.000 | 0.200 | (0;100) | ✔ | 06/10/16 |
BC2N | ICSD | 191803 | C2/m (12) | ✔ | 8 | 32 | 3 | 0.0 | 0.005 | 0.202 | (0;111) | ✗ | 06/10/16 |
Pb2S(O2F)2 | COD | 9001320 | C2/c (15) | ✔ | 18 | 144 | 3 | 3.3582 | 3.404 | 0.000 | (0;000) | ✗ | 02/02/17 |
Pb2OF2 | COD | 1523196 | P4_2/nmc (137) | ✔ | 20 | 192 | 3 | 2.9342 | 3.131 | 0.000 | (0;000) | ✗ | 02/02/17 |
NaFeF3 | ICSD | 68981 | Pnma (62) | ✔ | 20 | 152 | 3 | 0.2762 | 0.277 | 0.000 | (0;000) | ✗ | 02/02/17 |
FeF3 | COD | 1000228 | Fd-3m (227) | ✔ | 16 | 116 | 3 | 0.0 | 0.000 | 0.705 | (0;000) | ✗ | 02/02/17 |
GaAu | COD | 9008926 | Pnma (62) | ✔ | 8 | 96 | 3 | 0.0 | 0.094 | 0.370 | (1;000) | ✗ | 05/01/17 |
Ti3H3Au | ICSD | 611953 | Pm-3n (223) | ✔ | 14 | 100 | 3 | 0.0 | 0.000 | 0.703 | (0;111) | ✗ | 05/01/17 |
KMnF3 | ICSD | 31821 | Pnma (62) | ✔ | 20 | 180 | 3 | 0.0 | 0.002 | 0.510 | (0;110) | ✗ | 02/02/17 |
KMnF3 | ICSD | 4054 | P4/mbm (127) | ✔ | 10 | 90 | 3 | 0.0 | 0.000 | 0.805 | (0;000) | ✗ | 02/02/17 |
KMnF3 | ICSD | 89343 | P2_1/m (11) | ✔ | 20 | 180 | 3 | 0.0 | 0.006 | 0.776 | (0;011) | ✗ | 02/02/17 |
NaMgF3 | COD | 9003811 | Pnma (62) | ✔ | 20 | 160 | 3 | 6.4343 | 6.434 | 0.000 | (0;000) | ✗ | 02/02/17 |
NaMnF3 | COD | 1527946 | Pnma (62) | ✔ | 20 | 180 | 3 | 0.0 | 0.001 | 0.366 | (0;110) | ✗ | 02/02/17 |
NaNiF3 | COD | 1521771 | Pnma (62) | ✔ | 20 | 160 | 3 | 0.0 | 0.002 | 0.181 | (0;000) | ✗ | 02/02/17 |
NaZnF3 | ICSD | 69349 | Pnma (62) | ✔ | 20 | 168 | 3 | 3.8293 | 3.829 | 0.000 | (0;000) | ✗ | 02/02/17 |
BC2N | ICSD | 93040 | P2_122 (17) | ✗ | 8 | 32 | 3 | 1.9946 | 1.995 | 0.000 | (0;000) | ✗ | 06/10/16 |
RbPbF3 | ICSD | 161148 | Pnma (62) | ✔ | 20 | 176 | 3 | 0.0 | 0.011 | 0.578 | (0;000) | ✗ | 02/02/17 |
HfAu | ICSD | 611959 | P4/nmm (129) | ✔ | 4 | 46 | 3 | 0.0 | 0.000 | 0.804 | (1;001) | ✗ | 05/01/17 |
NaIn2Au | ICSD | 107505 | Cmcm (63) | ✔ | 8 | 92 | 3 | 0.0 | 0.050 | 0.706 | (1;000) | ✗ | 05/01/17 |
HfCoP | ICSD | 623786 | Pnma (62) | ✔ | 12 | 136 | 3 | 0.0 | 0.018 | 0.068 | (1;000) | ✗ | 27/01/17 |
CoH2SeO5 | ICSD | 66747 | C2/c (15) | ✔ | 18 | 110 | 3 | 0.0 | 0.001 | 0.443 | (1;010) | ✗ | 27/01/17 |
ZrF4 | COD | 2019609 | P2_1/c (14) | ✔ | 20 | 128 | 3 | 5.2782 | 5.321 | 0.000 | (0;000) | ✗ | 02/02/17 |
Fe2O2F5 | COD | 9015576 | Imma (74) | ✔ | 18 | 126 | 3 | 0.0 | 0.000 | 0.452 | (1;001) | ✗ | 02/02/17 |
CuS2 | ICSD | 628782 | Pnnm (58) | ✔ | 6 | 46 | 3 | 0.0 | 0.000 | 0.970 | (0;110) | ✗ | 27/01/17 |
InAuO2 | COD | 1510192 | P6_3/mmc (194) | ✔ | 8 | 72 | 3 | 0.0 | 0.536 | 0.147 | (0;000) | ✗ | 05/01/17 |
BC2N | ICSD | 93041 | Pmm2 (25) | ✗ | 4 | 16 | 3 | 1.7669 | 1.967 | 0.000 | (0;000) | ✗ | 06/10/16 |
ZrCoGe | ICSD | 623685 | Pnma (62) | ✔ | 12 | 100 | 3 | 0.0 | 0.000 | 0.636 | (1;011) | ✗ | 27/01/17 |
Cd(CN)2 | ICSD | 20748 | P-43m (215) | ✗ | 10 | 60 | 3 | 6.5073 | 6.601 | 0.000 | (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 |
Hf2CoP | ICSD | 84827 | P2_1/m (11) | ✔ | 8 | 92 | 3 | 0.0 | 0.014 | 0.572 | (0;000) | ✗ | 27/01/17 |
Sn2OF5 | COD | 8101512 | C2/m (12) | ✔ | 16 | 138 | 3 | 2.3848 | 2.974 | 0.000 | (0;000) | ✗ | 02/02/17 |
RbPd2F5 | ICSD | 72299 | Imma (74) | ✔ | 16 | 160 | 3 | 0.0 | 0.006 | 0.556 | (0;000) | ✗ | 02/02/17 |
CoH2SO5 | COD | 9009371 | C2/c (15) | ✔ | 18 | 110 | 3 | 0.0 | 0.001 | 0.531 | (1;100) | ✗ | 27/01/17 |
LiGaPdF6 | ICSD | 78748 | P-31c (163) | ✔ | 18 | 152 | 3 | 0.0 | 0.005 | 0.096 | (0;000) | ✗ | 02/02/17 |
Cd(CN)2 | ICSD | 66938 | P-43m (215) | ✗ | 10 | 60 | 3 | 5.9885 | 6.081 | 0.000 | (0;000) | ✗ | 06/10/16 |
CuSe2 | ICSD | 242 | Pmnn (58) | ✔ | 6 | 46 | 3 | 0.0 | 0.000 | 0.939 | (0;000) | ✗ | 06/10/16 |
YCoC2 | ICSD | 57007 | C2mm (38) | ✗ | 4 | 28 | 3 | 0.0 | 0.036 | 0.259 | (1;100) | ✔ | 06/10/16 |
Li3Au | COD | 1510223 | Fm-3m (225) | ✔ | 4 | 20 | 3 | 0.0 | 0.253 | 0.656 | (0;000) | ✗ | 05/01/17 |
LiSnAu | COD | 7209391 | P6_3/mmc (194) | ✔ | 6 | 56 | 3 | 0.0 | 0.021 | 0.553 | (0;000) | ✗ | 05/01/17 |
ZrVGe | ICSD | 88210 | I4/mmm (139) | ✔ | 6 | 42 | 3 | 0.0 | 0.014 | 0.710 | (0;111) | ✗ | 27/01/17 |
YTiGe | COD | 1521601 | P4/nmm (129) | ✔ | 6 | 54 | 3 | 0.0 | 0.000 | 0.648 | (0;001) | ✗ | 27/01/17 |
MnCoO3 | ICSD | 31854 | R-3 (148) | ✔ | 10 | 100 | 3 | 0.0 | 0.006 | 0.610 | (1;000) | ✗ | 27/01/17 |
Re3N | ICSD | 188352 | P-6m2 (187) | ✗ | 4 | 50 | 3 | 0.0 | 0.000 | 0.675 | (0;100) | ✔ | 06/10/16 |
Mg3Au | ICSD | 612138 | P6_3/mmc (194) | ✔ | 8 | 82 | 3 | 0.0 | 0.000 | 0.849 | (0;000) | ✗ | 05/01/17 |
YCoC2 | ICSD | 617465 | C2mm (38) | ✗ | 4 | 28 | 3 | 0.0 | 0.036 | 0.259 | (1;100) | ✔ | 06/10/16 |
LiV2F6 | ICSD | 35382 | P4_2/mnm (136) | ✔ | 18 | 142 | 3 | 0.0 | 0.000 | 0.658 | (1;000) | ✗ | 02/02/17 |
HfCoSi | ICSD | 623795 | Pnma (62) | ✔ | 12 | 132 | 3 | 0.0 | 0.000 | 0.522 | (1;011) | ✗ | 27/01/17 |
YCoC2 | ICSD | 617468 | C2mm (38) | ✗ | 4 | 28 | 3 | 0.0 | 0.032 | 0.257 | (0;000) | ✔ | 06/10/16 |
CN2 | ICSD | 247680 | Cmc2_1 (36) | ✗ | 6 | 28 | 3 | 1.1333 | 1.133 | 0.000 | (0;000) | ✗ | 06/10/16 |
Co(RhO2)2 | ICSD | 109301 | Fd-3m (227) | ✔ | 14 | 150 | 3 | 0.0 | 0.000 | 0.189 | (0;000) | ✗ | 27/01/17 |
GeS | ICSD | 155418 | Cmcm (63) | ✔ | 4 | 20 | 3 | 0.0 | 0.012 | 0.256 | (0;000) | ✗ | 06/10/16 |
Zn(CN)2 | ICSD | 22392 | P-43m (215) | ✗ | 10 | 60 | 3 | 6.8701 | 7.033 | 0.000 | (0;000) | ✗ | 06/10/16 |
RbNi2F6 | ICSD | 31781 | Imma (74) | ✔ | 18 | 142 | 3 | 0.0 | 0.001 | 0.462 | (0;101) | ✗ | 02/02/17 |
Nb3Au | COD | 1510253 | Pm-3n (223) | ✔ | 8 | 100 | 3 | 0.0 | 0.000 | 0.689 | (1;111) | ✗ | 05/01/17 |
CoMoO4 | COD | 7205001 | P2/c (13) | ✔ | 12 | 110 | 3 | 0.0 | 0.000 | 0.788 | (1;100) | ✗ | 27/01/17 |
ZrPbF6 | ICSD | 4051 | Cmme (67) | ✔ | 16 | 120 | 3 | 4.6036 | 4.647 | 0.000 | (0;000) | ✗ | 02/02/17 |
Zn(CN)2 | ICSD | 66937 | P-43m (215) | ✗ | 10 | 60 | 3 | 6.0028 | 6.146 | 0.000 | (0;000) | ✗ | 06/10/16 |
CoHO2 | COD | 9009449 | P6_3/mmc (194) | ✔ | 8 | 60 | 3 | 0.7607 | 0.923 | 0.000 | (0;000) | ✗ | 27/01/17 |
V3Ge | ICSD | 603983 | Pm-3n (223) | ✔ | 8 | 86 | 3 | 0.0 | 0.000 | 0.863 | (1;000) | ✗ | 27/01/17 |
MnCoSi | COD | 1009072 | Pnma (62) | ✔ | 12 | 144 | 3 | 0.0 | 0.005 | 0.289 | (0;000) | ✗ | 27/01/17 |
RbZrMnF7 | ICSD | 78042 | P2_1/m (11) | ✔ | 20 | 154 | 3 | 0.0 | 0.000 | 0.863 | (1;000) | ✗ | 02/02/17 |
ZrMnTlF7 | ICSD | 78041 | P2_1/m (11) | ✔ | 20 | 162 | 3 | 0.0 | 0.000 | 0.722 | (1;001) | ✗ | 02/02/17 |
TaPbF7 | ICSD | 417253 | P2_1/m (11) | ✔ | 18 | 152 | 3 | 4.9128 | 5.256 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ti5Al2C3 | ICSD | 187748 | R3m (160) | ✗ | 10 | 78 | 3 | 0.0 | 0.002 | 0.953 | ? | ✗ | 06/10/16 |
ScAuO2 | COD | 1510262 | P6_3/mmc (194) | ✔ | 8 | 68 | 3 | 1.5211 | 1.922 | 0.000 | (0;000) | ✗ | 05/01/17 |
Hf3Fe2Si3 | ICSD | 632268 | Cmcm (63) | ✔ | 16 | 128 | 3 | 0.0 | 0.006 | 0.706 | (1;110) | ✗ | 02/02/17 |
Hf(FeSi)2 | ICSD | 20933 | Pbcm (57) | ✔ | 20 | 144 | 3 | 0.0 | 0.002 | 0.275 | (1;001) | ✗ | 02/02/17 |
YAuO2 | COD | 1510263 | P6_3/mmc (194) | ✔ | 8 | 68 | 3 | 2.3253 | 2.480 | 0.000 | (0;000) | ✗ | 05/01/17 |
RhN | ICSD | 167872 | F-43m (216) | ✗ | 2 | 22 | 3 | 0.0 | 0.031 | 0.689 | (1;000) | ✔ | 06/10/16 |
K3(FeO2)2 | COD | 1531776 | Fddd (70) | ✔ | 18 | 134 | 3 | 0.0 | 0.000 | 0.470 | (1;111) | ✗ | 02/02/17 |
Al6C3N2 | ICSD | 14399 | R3m (160) | ✗ | 11 | 40 | 3 | 0.0 | 0.001 | 0.475 | (1;000) | ✔ | 06/10/16 |