▹ Formula | ▹ Source | ▴ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Bi2Pb2Se5 | ICSD | 30372 | P-3m1 (164) | ✔ | 9 | 88 | 3 | 0.0977 | 0.215 | 0.000 | (1;000) | ✗ | 02/02/17 |
Sn(SbTe2)2 | ICSD | 30392 | R-3m (166) | ✔ | 7 | 48 | 3 | 0.0 | 0.071 | 0.128 | (1;111) | ✗ | 02/02/17 |
Ge(BiTe2)2 | ICSD | 30394 | R-3m (166) | ✔ | 7 | 58 | 3 | 0.0 | 0.174 | 0.007 | (1;111) | ✗ | 02/02/17 |
K3NbO8 | ICSD | 30405 | I-42m (121) | ✗ | 12 | 88 | 1 | 1.5824 | 1.656 | 0.000 | (0;000) | ✗ | 07/10/16 |
K3TaO8 | ICSD | 30406 | I-42m (121) | ✗ | 12 | 88 | 1 | 2.2024 | 2.276 | 0.000 | (0;000) | ✗ | 07/10/16 |
Cs3TaO8 | ICSD | 30408 | I-42m (121) | ✗ | 12 | 88 | 1 | 1.7678 | 1.807 | 0.000 | (0;000) | ✗ | 22/03/17 |
MnP | ICSD | 30412 | Pmnb (62) | ✔ | 8 | 80 | 3 | 0.0 | 0.004 | 0.259 | (1;000) | ✗ | 06/10/16 |
K3ReC4(N2O)2 | ICSD | 30430 | P-1 (2) | ✔ | 14 | 90 | 3 | 0.0 | 0.098 | 0.453 | (0;000) | ✗ | 02/02/17 |
Ni2P2O7 | ICSD | 30433 | C2/m (12) | ✔ | 11 | 72 | 3 | 0.0 | 0.006 | 0.545 | (1;000) | ✗ | 27/01/17 |
Fe2B | ICSD | 30446 | I4/mcm (140) | ✔ | 6 | 38 | 3 | 0.0 | 0.001 | 0.527 | (1;000) | ✗ | 06/10/16 |
Co2B | ICSD | 30447 | I4/mcm (140) | ✔ | 6 | 42 | 3 | 0.0 | 0.000 | 0.495 | (1;111) | ✗ | 06/10/16 |
Ni2B | ICSD | 30448 | I4/mcm (140) | ✔ | 6 | 46 | 3 | 0.0 | 0.001 | 0.838 | (0;111) | ✗ | 06/10/16 |
Bi4Te3 | ICSD | 30526 | R-3m (166) | ✔ | 7 | 78 | 0 | 0.0 | 0.012 | 0.112 | (0;111) | ✗ | 06/10/16 |
SNCl | ICSD | 30558 | P2_1/m (11) | ✔ | 18 | 108 | 1 | 2.4393 | 2.446 | 0.000 | (0;000) | ✗ | 02/02/17 |
LiInMo3O8 | ICSD | 30579 | P3m1 (156) | ✗ | 13 | 106 | 3 | 1.0638 | 1.091 | 0.000 | (0;000) | ✗ | 15/02/17 |
Mo2N | ICSD | 30593 | I4_1/amd (141) | ✔ | 6 | 66 | 3 | 0.0 | 0.000 | 0.793 | (1;111) | ✗ | 02/02/17 |
CrB | ICSD | 30603 | Cmcm (63) | ✔ | 4 | 34 | 3 | 0.0 | 0.000 | 0.833 | (0;110) | ✗ | 06/10/16 |
TaF3 | ICSD | 30613 | Pm-3m (221) | ✔ | 4 | 34 | 3 | 0.0 | 0.000 | 0.776 | (0;000) | ✗ | 27/01/17 |
SiNi | ICSD | 30626 | Pnma (62) | ✔ | 8 | 56 | 3 | 0.0 | 0.014 | 0.355 | (0;000) | ✗ | 27/01/17 |
Pb2SO5 | ICSD | 30627 | C2/m (12) | ✔ | 16 | 128 | 3 | 2.5863 | 2.595 | 0.000 | (0;000) | ✗ | 02/02/17 |
BiAsO4 | ICSD | 30636 | I4_1/a (88) | ✔ | 12 | 88 | 3 | 2.5964 | 2.603 | 0.000 | (0;000) | ✗ | 29/11/16 |
N2O5 | ICSD | 30638 | P6_3/mmc (194) | ✔ | 14 | 80 | 1 | 0.6197 | 0.738 | 0.000 | (0;000) | ✗ | 27/01/17 |
N2O5 | ICSD | 30639 | P6_3/mmc (194) | ✔ | 14 | 80 | 1 | 0.0 | 0.003 | 0.404 | (1;000) | ✗ | 27/01/17 |
Ba3NiO4 | ICSD | 30662 | R-3c (167) | ✔ | 16 | 128 | 2 | 0.0 | 0.002 | 0.082 | (0;000) | ✗ | 02/02/17 |
SiP2 | ICSD | 30693 | Pa3 (205) | ✔ | 12 | 56 | 3 | 0.0 | 0.924 | 0.248 | (0;000) | ✗ | 27/01/17 |
YCl | ICSD | 30708 | R-3m (166) | ✔ | 4 | 36 | 2 | 0.0 | 0.026 | 0.395 | (0;000) | ✗ | 27/01/17 |
Pb3SO6 | ICSD | 30712 | Cmcm (63) | ✔ | 20 | 168 | 3 | 1.014 | 1.014 | 0.000 | (0;000) | ✗ | 02/02/17 |
RbLiBr2 | ICSD | 30719 | Cmcm (63) | ✔ | 8 | 52 | 1 | 4.3123 | 4.312 | 0.000 | (0;000) | ✗ | 02/02/17 |
Hf2CuGe4 | ICSD | 30733 | Cmcm (63) | ✔ | 14 | 102 | 3 | 0.0 | 0.000 | 0.826 | (0;000) | ✗ | 02/02/17 |
Rb2Te5 | ICSD | 30734 | C2/m (12) | ✔ | 7 | 48 | 3 | 0.2458 | 0.494 | 0.000 | (0;000) | ✔ | 02/02/17 |
VS2N3Cl2 | ICSD | 30742 | P-1 (2) | ✔ | 16 | 108 | 1 | 0.6592 | 0.684 | 0.000 | (0;000) | ✗ | 02/02/17 |
K(MoS)3 | ICSD | 30752 | P6_3/m (176) | ✔ | 14 | 138 | 1 | 0.0 | 0.000 | 0.281 | (0;000) | ✗ | 24/04/17 |
Rb(MoS)3 | ICSD | 30753 | P6_3/m (176) | ✔ | 14 | 138 | 1 | 0.0 | 0.000 | 0.273 | (0;000) | ✗ | 02/02/17 |
YSiCu | ICSD | 30772 | P6_3/mmc (194) | ✔ | 6 | 52 | 3 | 0.0 | 0.007 | 0.344 | (0;000) | ✗ | 27/01/17 |
CI4 | ICSD | 30789 | I-42m (121) | ✗ | 5 | 32 | 1 | 0.9413 | 0.943 | 0.000 | (0;000) | ✗ | 06/10/16 |
Cs4Ga2Se5 | ICSD | 30810 | P-1 (2) | ✔ | 22 | 184 | 2 | 2.3275 | 2.328 | 0.000 | (0;000) | ✗ | 07/08/17 |
CdI2 | ICSD | 30813 | P3m1 (156) | ✗ | 21 | 182 | 1 | 1.9735 | 2.176 | 0.000 | (0;000) | ✗ | 07/08/17 |
CaPd2 | ICSD | 30835 | I4/mmm (139) | ✔ | 3 | 46 | 2 | 0.0 | 0.017 | 0.582 | (1;111) | ✗ | 27/01/17 |
LiCo(CO)4 | ICSD | 30854 | P-43m (215) | ✗ | 10 | 60 | 3 | 4.0417 | 4.042 | 0.000 | (0;000) | ✗ | 15/02/17 |
V2ZnO6 | ICSD | 30880 | C2/m (12) | ✔ | 9 | 74 | 3 | 2.3293 | 2.384 | 0.000 | (0;000) | ✗ | 27/01/17 |
SbI3 | ICSD | 30906 | P2_1/c (14) | ✔ | 16 | 104 | 1 | 2.0113 | 2.049 | 0.000 | (0;000) | ✗ | 02/02/17 |
Cd(GaSe2)2 | ICSD | 30908 | I-4 (82) | ✗ | 7 | 62 | 3 | 1.445 | 1.445 | 0.000 | (0;000) | ✗ | 06/10/16 |
Sr(ZnP)2 | ICSD | 30911 | P-3m1 (164) | ✔ | 5 | 44 | 2 | 0.8413 | 0.856 | 0.000 | (0;000) | ✗ | 27/01/17 |
Sr(CdP)2 | ICSD | 30912 | P-3m1 (164) | ✔ | 5 | 44 | 2 | 0.7783 | 0.778 | 0.000 | (0;000) | ✗ | 27/01/17 |
Ba(MgP)2 | ICSD | 30914 | P-3m1 (164) | ✔ | 5 | 40 | 1 | 1.1281 | 1.727 | 0.000 | (0;000) | ✗ | 05/01/17 |
Ba(CdP)2 | ICSD | 30915 | P-3m1 (164) | ✔ | 5 | 44 | 2 | 0.7653 | 0.773 | 0.000 | (0;000) | ✗ | 05/01/17 |
Ba(MgAs)2 | ICSD | 30916 | P-3m1 (164) | ✔ | 5 | 40 | 2 | 0.9654 | 1.350 | 0.000 | (0;000) | ✗ | 05/01/17 |
Ba(CdAs)2 | ICSD | 30917 | P-3m1 (164) | ✔ | 5 | 44 | 2 | 0.1831 | 0.183 | 0.000 | (0;000) | ✗ | 05/01/17 |
KLiO | ICSD | 30964 | Cmce (64) | ✔ | 12 | 72 | 2 | 2.6278 | 2.628 | 0.000 | (0;000) | ✗ | 27/01/17 |
CdGeO3 | ICSD | 30971 | R-3 (148) | ✔ | 10 | 68 | 3 | 1.7638 | 1.904 | 0.000 | (0;000) | ✗ | 27/01/17 |
SiBi2O5 | ICSD | 30995 | Cmc2_1 (36) | ✗ | 16 | 128 | 3 | 2.5658 | 2.632 | 0.000 | (0;000) | ✗ | 21/03/17 |
Ag3PO4 | ICSD | 31078 | Pm-3n (223) | ✔ | 16 | 124 | 3 | 0.0 | 0.002 | 0.391 | (0;000) | ✗ | 30/01/17 |
ZrSi | ICSD | 31084 | I4_1/amd (141) | ✔ | 4 | 16 | 3 | 0.0 | 0.000 | 0.536 | (1;111) | ✗ | 27/01/17 |
Hg | ICSD | 31091 | I-42d (122) | ✗ | 4 | 48 | 1 | 3.9013 | 3.933 | 0.000 | (0;000) | ✗ | 29/03/17 |
AgCl | ICSD | 31108 | P4/mmm (123) | ✔ | 2 | 18 | 1 | 0.4513 | 0.682 | 0.000 | (0;000) | ✗ | 05/01/17 |
AgBr | ICSD | 31109 | P4/mmm (123) | ✔ | 2 | 18 | 1 | 0.0473 | 0.348 | 0.000 | (0;000) | ✗ | 05/01/17 |
HgS | ICSD | 31129 | P3_121 (152) | ✗ | 6 | 54 | 3 | 0.0 | 0.010 | 0.199 | (0;000) | ✔ | 06/10/16 |
LiFeO2 | ICSD | 31149 | I4_1/amd (141) | ✔ | 8 | 46 | 3 | 0.0 | 0.000 | 0.787 | (1;111) | ✗ | 27/01/17 |
BaTiO3 | ICSD | 31155 | C2mm (38) | ✗ | 5 | 40 | 3 | 1.9813 | 2.199 | 0.000 | (0;000) | ✗ | 06/10/16 |
CoAsS | ICSD | 31189 | P2_1ca (29) | ✗ | 12 | 80 | 3 | 0.8804 | 1.143 | 0.000 | (0;000) | ✗ | 06/10/16 |
K2Mg(CO3)2 | ICSD | 31295 | R-3m (166) | ✔ | 11 | 72 | 1 | 4.2143 | 4.214 | 0.000 | (0;000) | ✗ | 27/01/17 |
K2CdN12 | ICSD | 31297 | C2/m (12) | ✔ | 15 | 90 | 1 | 2.9481 | 2.992 | 0.000 | (0;000) | ✗ | 02/02/17 |
NiC2(SN)2 | ICSD | 31320 | C2/m (12) | ✔ | 7 | 40 | 2 | 0.0 | 0.014 | 0.451 | (0;000) | ✗ | 27/01/17 |
Cd(GaS2)2 | ICSD | 31354 | I-4 (82) | ✗ | 7 | 62 | 3 | 2.0248 | 2.027 | 0.000 | (0;000) | ✗ | 06/10/16 |
CsCo(CO)4 | ICSD | 31359 | I-4 (82) | ✗ | 10 | 66 | 2 | 3.736 | 3.877 | 0.000 | (0;000) | ✗ | 15/02/17 |
BiSBr | ICSD | 31389 | Pnma (62) | ✔ | 12 | 112 | 1 | 1.4144 | 1.467 | 0.000 | (0;000) | ✗ | 02/02/17 |
H2 | ICSD | 31543 | Pnma (62) | ✔ | 16 | 16 | 1 | 0.0 | 0.001 | 0.476 | (1;000) | ✗ | 02/02/17 |
LaBr3 | ICSD | 31581 | P2_1/m (11) | ✔ | 8 | 48 | 3 | 3.1889 | 3.189 | 0.000 | (0;000) | ✗ | 06/10/16 |
LaI3 | ICSD | 31596 | Cmcm (63) | ✔ | 8 | 48 | 2 | 1.1147 | 1.359 | 0.000 | (0;000) | ✗ | 06/10/16 |
Zr | ICSD | 31668 | C2/c (15) | ✔ | 6 | 24 | 1 | 0.0 | 0.022 | 0.320 | (0;000) | ✗ | 02/02/17 |
BrF3 | ICSD | 31689 | Ccm2_1 (36) | ✗ | 8 | 56 | 1 | 2.3987 | 2.540 | 0.000 | (0;000) | ✗ | 06/10/16 |
BrF5 | ICSD | 31690 | Ccm2_1 (36) | ✗ | 12 | 84 | 1 | 4.0507 | 4.134 | 0.000 | (0;000) | ✗ | 06/10/16 |
CBrN | ICSD | 31694 | Pmmn (59) | ✔ | 6 | 32 | 1 | 4.971 | 5.037 | 0.000 | (0;000) | ✗ | 27/01/17 |
ZrSO | ICSD | 31721 | P2_13 (198) | ✗ | 12 | 64 | 3 | 2.2593 | 2.612 | 0.000 | (0;000) | ✗ | 06/10/16 |
CsNi2F6 | ICSD | 31780 | Imma (74) | ✔ | 18 | 142 | 3 | 0.0 | 0.002 | 0.528 | (0;101) | ✗ | 02/02/17 |
RbNi2F6 | ICSD | 31781 | Imma (74) | ✔ | 18 | 142 | 3 | 0.0 | 0.001 | 0.462 | (0;101) | ✗ | 02/02/17 |
KMnF3 | ICSD | 31821 | Pnma (62) | ✔ | 20 | 180 | 3 | 0.0 | 0.002 | 0.510 | (0;110) | ✗ | 02/02/17 |
NaNO2 | ICSD | 31824 | Imm2 (44) | ✗ | 4 | 26 | 1 | 1.8658 | 2.031 | 0.000 | (0;000) | ✗ | 06/10/16 |
CrF2 | ICSD | 31827 | P2_1/c (14) | ✔ | 6 | 56 | 3 | 0.0 | 0.025 | 0.421 | (0;000) | ✔ | 06/10/16 |
MnNiO3 | ICSD | 31853 | R-3 (148) | ✔ | 10 | 86 | 3 | 0.0 | 0.012 | 0.447 | (0;000) | ✗ | 27/01/17 |
MnCoO3 | ICSD | 31854 | R-3 (148) | ✔ | 10 | 100 | 3 | 0.0 | 0.006 | 0.610 | (1;000) | ✗ | 27/01/17 |
HgSO4 | ICSD | 31870 | Pnm2_1 (31) | ✗ | 12 | 84 | 3 | 1.2801 | 1.709 | 0.000 | (0;000) | ✗ | 06/10/16 |
Te7As5I | ICSD | 31877 | Cm (8) | ✗ | 13 | 74 | 3 | 0.1896 | 0.258 | 0.000 | (0;000) | ✔ | 06/10/16 |
HgBrO3 | ICSD | 31925 | C2/c (15) | ✔ | 20 | 148 | 2 | 3.4599 | 3.523 | 0.000 | (0;000) | ✗ | 02/02/17 |
NaC4N3 | ICSD | 31926 | P-1 (2) | ✔ | 16 | 80 | 1 | 3.6724 | 3.698 | 0.000 | (0;000) | ✗ | 02/02/17 |
H2SeO3 | ICSD | 31929 | P2_12_12_1 (19) | ✗ | 24 | 104 | 1 | 4.6454 | 4.832 | 0.000 | (0;000) | ✗ | 04/08/17 |
NaInO2 | ICSD | 31932 | R-3m (166) | ✔ | 4 | 34 | 3 | 0.5146 | 0.664 | 0.000 | (0;000) | ✗ | 27/01/17 |
Li2ZrO3 | ICSD | 31941 | Cc (9) | ✗ | 12 | 56 | 3 | 3.6749 | 3.930 | 0.000 | (0;000) | ✗ | 06/10/16 |
RbScO2 | ICSD | 31959 | R-3m (166) | ✔ | 4 | 32 | 2 | 3.1509 | 3.502 | 0.000 | (0;000) | ✗ | 27/01/17 |
RbScO2 | ICSD | 31960 | P6_3/mmc (194) | ✔ | 8 | 64 | 2 | 3.3665 | 3.766 | 0.000 | (0;000) | ✗ | 06/10/16 |
Nb2C | ICSD | 31973 | Pnma (62) | ✔ | 12 | 120 | 3 | 0.0 | 0.087 | 0.260 | (1;000) | ✗ | 02/02/17 |
K2As2Pd | ICSD | 32009 | Cmcm (63) | ✔ | 10 | 92 | 1 | 0.6777 | 0.686 | 0.000 | (0;000) | ✗ | 30/01/17 |
K3Cu3As2 | ICSD | 32015 | R-3m (166) | ✔ | 8 | 70 | 2 | 1.2339 | 1.286 | 0.000 | (0;000) | ✗ | 05/01/17 |
Ba(MnSb)2 | ICSD | 32019 | I4/mmm (139) | ✔ | 5 | 50 | 2 | 0.0 | 0.002 | 0.868 | (0;111) | ✗ | 05/01/17 |
Ba(ZnSb)2 | ICSD | 32020 | Pnma (62) | ✔ | 20 | 176 | 3 | 0.0 | 0.015 | 0.060 | (0;000) | ✗ | 02/02/17 |
LiYSi | ICSD | 32028 | P-62m (189) | ✗ | 9 | 54 | 0 | 0.0 | 0.005 | 0.147 | (1;000) | ✔ | 06/10/16 |
LiYGe | ICSD | 32029 | P-62m (189) | ✗ | 9 | 54 | 0 | 0.0 | 0.012 | 0.128 | (1;000) | ✔ | 06/10/16 |
K5CuSb2 | ICSD | 32032 | R-3m (166) | ✔ | 8 | 66 | 1 | 0.7123 | 0.859 | 0.000 | (0;000) | ✗ | 02/02/17 |
NaHgPO4 | ICSD | 32511 | Cmcm (63) | ✔ | 14 | 100 | 1 | 1.7065 | 1.883 | 0.000 | (0;000) | ✗ | 27/01/17 |
CsC2I3N2 | ICSD | 32521 | Pmmn (59) | ✔ | 16 | 96 | 1 | 3.0749 | 3.166 | 0.000 | (0;000) | ✗ | 02/02/17 |