▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▴ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Zr5CuBi3 | COD | 2238336 | P6_3/mcm (193) | ✔ | 18 | 152 | 3 | 0.0 | 0.001 | 0.632 | (0;000) | ✗ | 02/02/17 |
In4Bi3Pb | ICSD | 616725 | I4/mcm (140) | ✔ | 16 | 222 | 3 | 0.0 | 0.000 | 0.557 | (0;000) | ✗ | 02/02/17 |
Ba2ZrS4 | ICSD | 69853 | I4/mmm (139) | ✔ | 7 | 48 | 2 | 0.3275 | 0.328 | 0.000 | (0;000) | ✗ | 05/01/17 |
NiP2 | ICSD | 27160 | C2/c (15) | ✔ | 6 | 40 | 3 | 0.5384 | 0.618 | 0.000 | (0;000) | ✗ | 06/10/16 |
GeSe | ICSD | 637852 | Pmnb (62) | ✔ | 8 | 40 | 2 | 0.6476 | 0.829 | 0.000 | (0;000) | ✗ | 06/10/16 |
CsNO2 | ICSD | 50327 | P3_121 (152) | ✗ | 12 | 78 | 1 | 2.4684 | 2.661 | 0.000 | (0;000) | ✗ | 28/10/16 |
BI3 | COD | 1511187 | P6_3/m (176) | ✔ | 8 | 48 | 1 | 2.4263 | 2.517 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ba3ZnN2O | ICSD | 55536 | P4/mmm (123) | ✔ | 7 | 58 | 1 | 0.3269 | 0.327 | 0.000 | (0;000) | ✗ | 05/01/17 |
Ba3WO6 | ICSD | 76437 | Fm-3m (225) | ✔ | 10 | 80 | 1 | 2.6514 | 2.651 | 0.000 | (0;000) | ✗ | 05/01/17 |
Bi4RuBr2 | ICSD | 406951 | C2/m (12) | ✔ | 14 | 180 | 2 | 0.3607 | 0.457 | 0.000 | (0;000) | ✗ | 02/02/17 |
TaBi4ClO8 | ICSD | 59601 | P4/mmm (123) | ✔ | 14 | 128 | 1 | 0.4995 | 1.233 | 0.000 | (0;000) | ✗ | 02/02/17 |
SrBiBrO2 | ICSD | 97509 | Cmcm (63) | ✔ | 10 | 88 | 1 | 2.8751 | 3.099 | 0.000 | (0;000) | ✗ | 02/02/17 |
FeBi4S7 | COD | 4508261 | C2/m (12) | ✔ | 12 | 110 | 3 | 0.0 | 0.045 | 0.019 | (0;000) | ✗ | 02/02/17 |
CsNO2 | ICSD | 50328 | P3_121 (152) | ✗ | 12 | 78 | 1 | 2.8488 | 3.021 | 0.000 | (0;000) | ✗ | 28/10/16 |
Bi4RuI2 | ICSD | 406949 | I4/m (87) | ✔ | 14 | 180 | 2 | 0.3499 | 0.409 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ba3(PO4)2 | COD | 8103717 | R-3m (166) | ✔ | 13 | 88 | 1 | 5.2617 | 5.291 | 0.000 | (0;000) | ✗ | 05/01/17 |
Ba3PbO | COD | 1525464 | Pm-3m (221) | ✔ | 5 | 50 | 1 | 0.0 | 0.013 | 0.080 | (0;000) | ✗ | 05/01/17 |
Cs3Li2F5 | ICSD | 245964 | Fmm2 (42) | ✗ | 10 | 68 | 1 | 5.7163 | 5.847 | 0.000 | (0;000) | ✗ | 28/10/16 |
Ba(BeN)2 | ICSD | 415304 | I4/mcm (140) | ✔ | 10 | 56 | 1 | 1.3639 | 1.449 | 0.000 | (0;000) | ✗ | 05/01/17 |
BiBr3 | COD | 8103605 | P2_1/c (14) | ✔ | 16 | 144 | 2 | 2.133 | 2.198 | 0.000 | (0;000) | ✗ | 02/02/17 |
BiBr3 | COD | 8103606 | C2/m (12) | ✔ | 8 | 72 | 2 | 2.0253 | 2.057 | 0.000 | (0;000) | ✗ | 02/02/17 |
Bi(TeBr2)2 | ICSD | 83806 | P-1 (2) | ✔ | 14 | 110 | 3 | 1.0464 | 1.099 | 0.000 | (0;000) | ✗ | 02/02/17 |
CdBiS2Br | ICSD | 171725 | C2/m (12) | ✔ | 10 | 92 | 3 | 1.4263 | 1.434 | 0.000 | (0;000) | ✗ | 02/02/17 |
CdBiSe2Br | ICSD | 171726 | Pnma (62) | ✔ | 20 | 184 | 3 | 1.0754 | 1.079 | 0.000 | (0;000) | ✗ | 02/02/17 |
GaCuI4 | ICSD | 400817 | I-4 (82) | ✗ | 6 | 52 | 3 | 1.6021 | 1.602 | 0.000 | (0;000) | ✗ | 06/10/16 |
BiSeBr | ICSD | 76649 | Pnma (62) | ✔ | 12 | 112 | 1 | 0.595 | 0.788 | 0.000 | (0;000) | ✗ | 02/02/17 |
BiSBr | ICSD | 31389 | Pnma (62) | ✔ | 12 | 112 | 1 | 1.4144 | 1.467 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ba(MgBi)2 | COD | 7221204 | P-3m1 (164) | ✔ | 5 | 60 | 2 | 0.0 | 0.010 | 0.011 | (0;000) | ✗ | 05/01/17 |
CdBiS2Cl | ICSD | 171724 | Pnma (62) | ✔ | 20 | 184 | 3 | 1.5239 | 1.525 | 0.000 | (0;000) | ✗ | 02/02/17 |
CdBiSe2I | ICSD | 171727 | C2/m (12) | ✔ | 10 | 92 | 3 | 0.9676 | 1.041 | 0.000 | (0;000) | ✗ | 02/02/17 |
CuBiSCl2 | ICSD | 413289 | Cmcm (63) | ✔ | 10 | 92 | 2 | 0.319 | 0.337 | 0.000 | (0;000) | ✗ | 02/02/17 |
Cs2NaBiCl6 | ICSD | 59195 | Fm-3m (225) | ✔ | 10 | 84 | 2 | 2.9309 | 3.206 | 0.000 | (0;000) | ✗ | 02/02/17 |
Tl3BiCl6 | ICSD | 421317 | P4_2/m (84) | ✔ | 20 | 192 | 1 | 2.1717 | 2.297 | 0.000 | (0;000) | ✗ | 02/02/17 |
BiClF8 | ICSD | 39555 | P-1 (2) | ✔ | 20 | 156 | 1 | 2.8713 | 2.871 | 0.000 | (0;000) | ✗ | 02/02/17 |
BiSeCl | ICSD | 40862 | Pnma (62) | ✔ | 12 | 112 | 1 | 1.2742 | 1.277 | 0.000 | (0;000) | ✗ | 02/02/17 |
BiSCl | COD | 8103601 | Pnma (62) | ✔ | 12 | 112 | 1 | 1.2731 | 1.362 | 0.000 | (0;000) | ✗ | 02/02/17 |
CoBiO3 | ICSD | 247467 | Pnma (62) | ✔ | 20 | 200 | 3 | 0.0 | 0.098 | 0.149 | (0;000) | ✗ | 02/02/17 |
FeCl2 | COD | 9014952 | R-3m (166) | ✔ | 3 | 22 | 2 | 0.4967 | 0.504 | 0.000 | (0;000) | ✗ | 27/01/17 |
SiC | ICSD | 24168 | R3m (160) | ✗ | 10 | 40 | 3 | 1.9506 | 3.262 | 0.000 | (0;000) | ✗ | 06/10/16 |
Cs2KBiF6 | ICSD | 9383 | Fm-3m (225) | ✔ | 10 | 84 | 1 | 4.0251 | 4.138 | 0.000 | (0;000) | ✗ | 02/02/17 |
Cs2RbBiF6 | ICSD | 9384 | Fm-3m (225) | ✔ | 10 | 84 | 3 | 4.0212 | 4.051 | 0.000 | (0;000) | ✗ | 02/02/17 |
Cs2TlBiF6 | ICSD | 9385 | Fm-3m (225) | ✔ | 10 | 88 | 3 | 1.7247 | 1.725 | 0.000 | (0;000) | ✗ | 02/02/17 |
Cs3Bi | ICSD | 659568 | Fm-3m (225) | ✔ | 4 | 42 | 1 | 0.1791 | 0.627 | 0.000 | (0;000) | ✗ | 02/02/17 |
GeTe | ICSD | 638005 | Pnma (62) | ✔ | 8 | 40 | 2 | 0.0 | 0.104 | 0.027 | (0;000) | ✗ | 02/02/17 |
CsBiS2 | ICSD | 72975 | P2_1/c (14) | ✔ | 16 | 144 | 1 | 1.5688 | 1.689 | 0.000 | (0;000) | ✗ | 02/02/17 |
CuBiS2 | COD | 9009502 | Pnma (62) | ✔ | 16 | 152 | 3 | 0.3737 | 0.450 | 0.000 | (0;000) | ✗ | 02/02/17 |
BiF3 | COD | 1527437 | Pnma (62) | ✔ | 16 | 144 | 3 | 3.6893 | 3.690 | 0.000 | (0;000) | ✗ | 02/02/17 |
KRb2BiF6 | ICSD | 9387 | Fm-3m (225) | ✔ | 10 | 84 | 3 | 4.1293 | 4.131 | 0.000 | (0;000) | ✗ | 02/02/17 |
BaBrF | COD | 9011174 | P4/nmm (129) | ✔ | 6 | 48 | 1 | 4.6989 | 4.699 | 0.000 | (0;000) | ✗ | 05/01/17 |
SrBiS2F | ICSD | 250892 | P4/nmm (129) | ✔ | 10 | 88 | 1 | 0.4653 | 0.478 | 0.000 | (0;000) | ✗ | 02/02/17 |
In2GaBiS6 | ICSD | 410032 | P2_1/m (11) | ✔ | 20 | 180 | 3 | 1.6515 | 1.723 | 0.000 | (0;000) | ✗ | 02/02/17 |
GaBiO3 | COD | 4002370 | Pcca (54) | ✔ | 20 | 184 | 3 | 1.8816 | 1.936 | 0.000 | (0;000) | ✗ | 02/02/17 |
BaHBr | COD | 9009158 | P4/nmm (129) | ✔ | 6 | 36 | 1 | 3.4293 | 3.429 | 0.000 | (0;000) | ✗ | 05/01/17 |
InBiO3 | COD | 4002372 | Pnma (62) | ✔ | 20 | 184 | 3 | 2.1564 | 2.242 | 0.000 | (0;000) | ✗ | 02/02/17 |
SrBiIO2 | ICSD | 97510 | Cmcm (63) | ✔ | 10 | 88 | 1 | 2.5655 | 2.661 | 0.000 | (0;000) | ✗ | 02/02/17 |
BiI | COD | 1528275 | C2/m (12) | ✔ | 16 | 176 | 1 | 0.1378 | 0.149 | 0.000 | (0;000) | ✗ | 02/02/17 |
BaCa2Mg(SiO4)2 | ICSD | 422406 | P-3 (147) | ✔ | 14 | 96 | 3 | 5.2458 | 5.351 | 0.000 | (0;000) | ✗ | 05/01/17 |
BiSeI | COD | 2010577 | Pnma (62) | ✔ | 12 | 112 | 1 | 0.8997 | 0.935 | 0.000 | (0;000) | ✗ | 02/02/17 |
BiSI | ICSD | 25575 | Pnma (62) | ✔ | 12 | 112 | 1 | 0.8593 | 1.045 | 0.000 | (0;000) | ✗ | 02/02/17 |
K2SnBi | ICSD | 107616 | Pbcm (57) | ✔ | 16 | 188 | 1 | 0.0 | 0.007 | 0.375 | (0;000) | ✗ | 02/02/17 |
K3BiO4 | ICSD | 412393 | P-1 (2) | ✔ | 16 | 132 | 1 | 1.5786 | 1.609 | 0.000 | (0;000) | ✗ | 02/02/17 |
K3Bi | COD | 1010295 | P6_3/mmc (194) | ✔ | 8 | 84 | 1 | 0.0 | 0.006 | 0.037 | (0;000) | ✗ | 02/02/17 |
LiBiO2 | ICSD | 25385 | P4/nmm (129) | ✔ | 8 | 60 | 2 | 0.6159 | 0.618 | 0.000 | (0;000) | ✗ | 02/02/17 |
LiBi(PdO2)2 | COD | 1000075 | P4/nmm (129) | ✔ | 16 | 156 | 3 | 0.3386 | 0.881 | 0.000 | (0;000) | ✗ | 02/02/17 |
SrLiBi | ICSD | 58800 | Pnma (62) | ✔ | 12 | 112 | 1 | 0.0791 | 0.079 | 0.000 | (0;000) | ✗ | 02/02/17 |
Mg2BiPO6 | ICSD | 73894 | Cmcm (63) | ✔ | 20 | 152 | 3 | 3.4419 | 3.449 | 0.000 | (0;000) | ✗ | 02/02/17 |
MnBiO3 | COD | 4340609 | Pnma (62) | ✔ | 20 | 192 | 3 | 0.0 | 0.005 | 0.512 | (0;000) | ✗ | 02/02/17 |
MnBiO3 | COD | 4340611 | C2/c (15) | ✔ | 20 | 192 | 3 | 0.0 | 0.011 | 0.416 | (0;000) | ✗ | 02/02/17 |
KCuO | ICSD | 25695 | I4/m (87) | ✔ | 12 | 104 | 2 | 1.3193 | 1.480 | 0.000 | (0;000) | ✗ | 06/10/16 |
KCuS | ICSD | 49008 | P2_1cn (33) | ✗ | 12 | 104 | 1 | 1.8268 | 1.849 | 0.000 | (0;000) | ✗ | 06/10/16 |
BiN9 | COD | 4334925 | P-1 (2) | ✔ | 20 | 120 | 2 | 2.0245 | 2.090 | 0.000 | (0;000) | ✗ | 02/02/17 |
Na3BiO4 | COD | 1525239 | P2/c (13) | ✔ | 16 | 132 | 1 | 1.329 | 1.347 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ba(CdP)2 | ICSD | 30915 | P-3m1 (164) | ✔ | 5 | 44 | 2 | 0.7653 | 0.773 | 0.000 | (0;000) | ✗ | 05/01/17 |
BaCdPF | ICSD | 189937 | P4/nmm (129) | ✔ | 8 | 68 | 1 | 1.1441 | 1.144 | 0.000 | (0;000) | ✗ | 05/01/17 |
NiBiO3 | COD | 7222310 | P-1 (2) | ✔ | 20 | 172 | 3 | 0.0 | 0.013 | 0.141 | (0;000) | ✗ | 02/02/17 |
BiRhO3 | ICSD | 188150 | Pnma (62) | ✔ | 20 | 200 | 3 | 0.4398 | 0.625 | 0.000 | (0;000) | ✗ | 02/02/17 |
SrBiO3 | COD | 1008815 | P2_1/c (14) | ✔ | 20 | 172 | 3 | 0.4344 | 1.142 | 0.000 | (0;000) | ✗ | 02/02/17 |
VBiPbO5 | ICSD | 419122 | C2/m (12) | ✔ | 16 | 144 | 3 | 1.9715 | 2.258 | 0.000 | (0;000) | ✗ | 02/02/17 |
VBiPbO5 | ICSD | 56791 | P-1 (2) | ✔ | 16 | 144 | 3 | 2.2379 | 2.437 | 0.000 | (0;000) | ✗ | 02/02/17 |
BiPPbO5 | ICSD | 419125 | P-1 (2) | ✔ | 16 | 128 | 3 | 1.6308 | 1.743 | 0.000 | (0;000) | ✗ | 02/02/17 |
NiS | ICSD | 42493 | P6_3mc (186) | ✗ | 4 | 32 | 0 | 0.0 | 0.001 | 0.296 | (0;000) | ✔ | 06/10/16 |
NaCuO | ICSD | 15099 | I4/m (87) | ✔ | 12 | 104 | 3 | 1.2831 | 1.388 | 0.000 | (0;000) | ✗ | 06/10/16 |
BiOsSe | ICSD | 616892 | P2_1/c (14) | ✔ | 12 | 148 | 3 | 0.3781 | 0.641 | 0.000 | (0;000) | ✗ | 02/02/17 |
BiPPb2 | COD | 1531358 | Pnma (62) | ✔ | 16 | 192 | 1 | 0.0 | 0.031 | 0.331 | (0;000) | ✗ | 02/02/17 |
Rb3Bi | ICSD | 616997 | P6_3/mmc (194) | ✔ | 8 | 84 | 1 | 0.0 | 0.005 | 0.053 | (0;000) | ✗ | 02/02/17 |
RbBi | ICSD | 9787 | Pmmn (59) | ✔ | 4 | 48 | 1 | 0.0 | 0.002 | 0.246 | (0;000) | ✗ | 02/02/17 |
BaCl2 | COD | 9009003 | Fm-3m (225) | ✔ | 3 | 24 | 1 | 5.5411 | 5.596 | 0.000 | (0;000) | ✗ | 05/01/17 |
BaClF | COD | 1530187 | P4/nmm (129) | ✔ | 6 | 48 | 1 | 5.4116 | 5.412 | 0.000 | (0;000) | ✗ | 05/01/17 |
RbCuO | ICSD | 15100 | I4/m (87) | ✔ | 12 | 104 | 2 | 1.3663 | 1.415 | 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 |
K2NaBP2 | ICSD | 300133 | C2/m (12) | ✔ | 12 | 80 | 1 | 1.8181 | 1.907 | 0.000 | (0;000) | ✗ | 02/02/17 |
K3BP2 | COD | 8103458 | C2/c (15) | ✔ | 12 | 80 | 1 | 1.6994 | 2.098 | 0.000 | (0;000) | ✗ | 02/02/17 |
MnB | COD | 1511485 | P4_2/ncm (138) | ✔ | 16 | 144 | 3 | 0.0 | 0.001 | 0.588 | (0;000) | ✗ | 02/02/17 |
Na3BS3 | COD | 1511253 | C2/c (15) | ✔ | 14 | 96 | 1 | 2.5788 | 2.726 | 0.000 | (0;000) | ✗ | 02/02/17 |
BaN3Cl | ICSD | 418423 | P2_1/m (11) | ✔ | 10 | 64 | 1 | 4.1365 | 4.321 | 0.000 | (0;000) | ✗ | 05/01/17 |
TaCuO3 | ICSD | 164934 | R3c (161) | ✗ | 10 | 84 | 3 | 0.8785 | 0.879 | 0.000 | (0;000) | ✗ | 06/10/16 |
Sr3BPO3 | ICSD | 401207 | P6_3/mmc (194) | ✔ | 16 | 112 | 1 | 2.106 | 2.352 | 0.000 | (0;000) | ✗ | 02/02/17 |
Tl3BO3 | COD | 1511279 | P6_3/m (176) | ✔ | 14 | 120 | 3 | 1.3717 | 1.560 | 0.000 | (0;000) | ✗ | 02/02/17 |
Rb3BP2 | COD | 8103471 | C2/c (15) | ✔ | 12 | 80 | 1 | 1.6726 | 2.002 | 0.000 | (0;000) | ✗ | 02/02/17 |
Y6NiBr10 | ICSD | 424466 | P-1 (2) | ✔ | 17 | 146 | 3 | 0.4074 | 0.493 | 0.000 | (0;000) | ✗ | 02/02/17 |