▹ Formula | ▹ Source | ▴ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Rb3Mn2Br7 | ICSD | 32544 | I4/mmm (139) | ✔ | 12 | 106 | 2 | 0.0 | 0.001 | 0.861 | (0;000) | ✗ | 21/03/17 |
NaPt3O4 | ICSD | 32546 | Pm-3n (223) | ✔ | 16 | 126 | 3 | 0.0 | 0.000 | 0.761 | (1;000) | ✗ | 27/01/17 |
Ga2Fe2S5 | ICSD | 32551 | R-3m (166) | ✔ | 9 | 72 | 2 | 0.1302 | 0.260 | 0.000 | (0;000) | ✗ | 22/03/17 |
HgO | ICSD | 32561 | P-1 (2) | ✔ | 16 | 144 | 3 | 0.8413 | 1.143 | 0.000 | (0;000) | ✗ | 02/02/17 |
H6OF4 | ICSD | 32569 | P-1 (2) | ✔ | 22 | 80 | 1 | 0.0 | 0.009 | 0.628 | (1;000) | ✗ | 04/08/17 |
NaCaVO4 | ICSD | 32573 | Cmcm (63) | ✔ | 14 | 112 | 1 | 3.467 | 3.486 | 0.000 | (0;000) | ✗ | 27/01/17 |
CuCSN | ICSD | 32578 | P6_3mc (186) | ✗ | 8 | 52 | 3 | 2.1727 | 2.173 | 0.000 | (0;000) | ✗ | 15/02/17 |
Ca2As2O7 | ICSD | 32602 | C2/m (12) | ✔ | 11 | 72 | 1 | 4.0716 | 4.136 | 0.000 | (0;000) | ✗ | 05/01/17 |
Ca(Cu2As)2 | ICSD | 32619 | R-3m (166) | ✔ | 7 | 64 | 2 | 0.0 | 0.006 | 0.438 | (1;000) | ✗ | 05/01/17 |
Ba2HgS3 | ICSD | 32647 | Pnma (62) | ✔ | 24 | 200 | 1 | 1.4448 | 1.445 | 0.000 | (0;000) | ✗ | 04/08/17 |
Ag2H2IOF | ICSD | 32660 | P2_1 (4) | ✗ | 14 | 88 | 3 | 1.2016 | 1.282 | 0.000 | (0;000) | ✗ | 16/03/17 |
CaPdF4 | ICSD | 32674 | I4/mcm (140) | ✔ | 12 | 112 | 1 | 1.0496 | 1.050 | 0.000 | (0;000) | ✗ | 27/01/17 |
KMnCl3 | ICSD | 32711 | Pnma (62) | ✔ | 20 | 180 | 1 | 0.0 | 0.000 | 0.373 | (0;011) | ✗ | 02/02/17 |
MnTlCl3 | ICSD | 32712 | Pnma (62) | ✔ | 20 | 196 | 1 | 0.0 | 0.001 | 0.161 | (0;011) | ✗ | 22/03/17 |
LiPN2 | ICSD | 32713 | I-42d (122) | ✗ | 8 | 36 | 3 | 4.0391 | 4.776 | 0.000 | (0;000) | ✗ | 07/10/16 |
InSe | ICSD | 32714 | C2/m (12) | ✔ | 4 | 38 | 2 | 1.1651 | 1.346 | 0.000 | (0;000) | ✗ | 27/01/17 |
LiCaCoF6 | ICSD | 32730 | P-31c (163) | ✔ | 18 | 144 | 1 | 1.3971 | 1.400 | 0.000 | (0;000) | ✗ | 02/02/17 |
LiCdCoF6 | ICSD | 32731 | P-31c (163) | ✔ | 18 | 148 | 3 | 1.2028 | 1.205 | 0.000 | (0;000) | ✗ | 02/02/17 |
LiCaNiF6 | ICSD | 32732 | P-31c (163) | ✔ | 18 | 130 | 1 | 0.0 | 0.000 | 0.767 | (0;000) | ✗ | 02/02/17 |
SrLiNiF6 | ICSD | 32733 | P-31c (163) | ✔ | 18 | 130 | 1 | 0.0 | 0.000 | 0.660 | (0;000) | ✗ | 02/02/17 |
KNaO | ICSD | 32743 | P4/nmm (129) | ✔ | 6 | 48 | 1 | 2.318 | 2.413 | 0.000 | (0;000) | ✗ | 27/01/17 |
Na2ZnS2 | ICSD | 33235 | Ibam (72) | ✔ | 10 | 84 | 1 | 2.4022 | 2.402 | 0.000 | (0;000) | ✗ | 02/02/17 |
K2P3 | ICSD | 33259 | Fmmm (69) | ✔ | 10 | 66 | 1 | 0.6919 | 0.692 | 0.000 | (0;000) | ✗ | 02/02/17 |
K2P3 | ICSD | 33260 | Fddd (70) | ✔ | 20 | 132 | 1 | 1.0357 | 1.037 | 0.000 | (0;000) | ✗ | 02/02/17 |
KNa2BO3 | ICSD | 33261 | Pmmn (59) | ✔ | 14 | 96 | 1 | 2.9589 | 3.196 | 0.000 | (0;000) | ✗ | 05/01/17 |
CsPS3 | ICSD | 33277 | Immm (71) | ✔ | 10 | 64 | 1 | 1.9334 | 1.954 | 0.000 | (0;000) | ✗ | 02/02/17 |
KPS3 | ICSD | 33278 | Immm (71) | ✔ | 10 | 64 | 1 | 1.7043 | 1.718 | 0.000 | (0;000) | ✗ | 02/02/17 |
KCdCl3 | ICSD | 33281 | Pnma (62) | ✔ | 20 | 168 | 2 | 3.676 | 3.816 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ni(ClO4)2 | ICSD | 33289 | R-3 (148) | ✔ | 11 | 72 | 2 | 0.0 | 0.018 | 0.403 | (0;000) | ✗ | 27/01/17 |
K2MgF4 | ICSD | 33519 | I4/mmm (139) | ✔ | 7 | 56 | 2 | 6.6361 | 6.783 | 0.000 | (0;000) | ✗ | 27/01/17 |
K3Ni2F7 | ICSD | 33523 | I4/mmm (139) | ✔ | 12 | 96 | 2 | 0.0 | 0.005 | 0.763 | (0;000) | ✗ | 22/03/17 |
K3Co2F7 | ICSD | 33524 | I4/mmm (139) | ✔ | 12 | 110 | 2 | 0.0 | 0.011 | 0.959 | (0;000) | ✗ | 22/03/17 |
K3Mn2F7 | ICSD | 33525 | I4/mmm (139) | ✔ | 12 | 106 | 2 | 0.0 | 0.014 | 0.728 | (0;000) | ✗ | 22/03/17 |
AuCClO | ICSD | 33526 | Cmcm (63) | ✔ | 8 | 56 | 2 | 2.4939 | 2.899 | 0.000 | (0;000) | ✗ | 27/01/17 |
Tl2Sn2S3 | ICSD | 33531 | C2/c (15) | ✔ | 14 | 144 | 3 | 0.4087 | 0.450 | 0.000 | (0;000) | ✗ | 02/02/17 |
CSO | ICSD | 33540 | R3m (160) | ✗ | 3 | 16 | 1 | 4.804 | 4.970 | 0.000 | (0;000) | ✗ | 06/10/16 |
ReNClF5 | ICSD | 33542 | P2_1/m (11) | ✔ | 16 | 124 | 1 | 1.9084 | 1.916 | 0.000 | (0;000) | ✗ | 02/02/17 |
KTlO2 | ICSD | 33553 | R-3m (166) | ✔ | 4 | 34 | 2 | 0.9793 | 1.140 | 0.000 | (0;000) | ✗ | 27/01/17 |
RbTlO2 | ICSD | 33554 | R-3m (166) | ✔ | 4 | 34 | 2 | 1.027 | 1.160 | 0.000 | (0;000) | ✗ | 27/01/17 |
FeB | ICSD | 33577 | Pnma (62) | ✔ | 8 | 44 | 3 | 0.0 | 0.000 | 0.520 | (0;011) | ✗ | 05/01/17 |
TlGaO2 | ICSD | 33579 | R-3m (166) | ✔ | 8 | 76 | 3 | 1.5136 | 1.563 | 0.000 | (0;000) | ✗ | 27/01/17 |
Ba2ScSbO6 | ICSD | 33623 | Fm-3m (225) | ✔ | 10 | 72 | 3 | 0.0 | 0.011 | 0.553 | (1;000) | ✗ | 05/01/17 |
Ba2YSbO6 | ICSD | 33624 | Fm-3m (225) | ✔ | 10 | 72 | 3 | 0.0 | 0.003 | 0.627 | (1;000) | ✗ | 05/01/17 |
NaTlO2 | ICSD | 33630 | R-3m (166) | ✔ | 4 | 34 | 2 | 0.5868 | 0.737 | 0.000 | (0;000) | ✗ | 27/01/17 |
LiTlO2 | ICSD | 33633 | I4_1/amd (141) | ✔ | 8 | 56 | 3 | 0.1194 | 1.173 | 0.000 | (0;000) | ✗ | 27/01/17 |
KBrO3 | ICSD | 33663 | R3m (160) | ✗ | 5 | 34 | 1 | 3.1451 | 3.145 | 0.000 | (0;000) | ✗ | 06/10/16 |
ZnGeO3 | ICSD | 33722 | R-3 (148) | ✔ | 10 | 68 | 3 | 2.5296 | 2.693 | 0.000 | (0;000) | ✗ | 27/01/17 |
NaFeO2 | ICSD | 33775 | P4_12_12 (92) | ✗ | 16 | 116 | 3 | 0.0 | 0.003 | 0.434 | ? | ✗ | 22/03/17 |
SnF3 | ICSD | 33786 | Fm-3m (225) | ✔ | 8 | 70 | 3 | 3.359 | 4.041 | 0.000 | (0;000) | ✗ | 27/01/17 |
BaSnF6 | ICSD | 33788 | R-3 (148) | ✔ | 8 | 66 | 1 | 5.7036 | 5.704 | 0.000 | (0;000) | ✗ | 05/01/17 |
BaTiF6 | ICSD | 33789 | R-3m (166) | ✔ | 8 | 64 | 1 | 4.8484 | 4.971 | 0.000 | (0;000) | ✗ | 05/01/17 |
Ca6GaN5 | ICSD | 33795 | P6_3/mcm (193) | ✔ | 24 | 196 | 1 | 0.6712 | 0.779 | 0.000 | (0;000) | ✗ | 04/08/17 |
Ca6FeN5 | ICSD | 33796 | P6_3/mcm (193) | ✔ | 24 | 186 | 1 | 0.0 | 0.000 | 0.852 | (0;000) | ✗ | 04/08/17 |
K4Be3O5 | ICSD | 33808 | C2/c (15) | ✔ | 24 | 156 | 1 | 3.3568 | 3.409 | 0.000 | (0;000) | ✗ | 04/08/17 |
Cs2Li2SiO4 | ICSD | 33809 | P-1 (2) | ✔ | 18 | 104 | 2 | 4.1815 | 4.319 | 0.000 | (0;000) | ✗ | 02/02/17 |
Cs2Li2TiO4 | ICSD | 33810 | P-1 (2) | ✔ | 18 | 120 | 2 | 4.2643 | 4.371 | 0.000 | (0;000) | ✗ | 02/02/17 |
As(BrF2)3 | ICSD | 33811 | P-1 (2) | ✔ | 20 | 136 | 1 | 1.7771 | 1.828 | 0.000 | (0;000) | ✗ | 30/01/17 |
Ca3C3Cl2 | ICSD | 33818 | Cmcm (63) | ✔ | 16 | 112 | 1 | 1.2545 | 1.336 | 0.000 | (0;000) | ✗ | 02/02/17 |
Al2HgSe4 | ICSD | 33827 | I-4 (82) | ✗ | 7 | 42 | 3 | 1.5688 | 1.569 | 0.000 | (0;000) | ✗ | 06/10/16 |
CsO3 | ICSD | 33847 | P2_1/c (14) | ✔ | 16 | 108 | 1 | 0.0 | 0.000 | 0.677 | (1;111) | ✗ | 02/02/17 |
Ca4Cl6O | ICSD | 33883 | P6_3mc (186) | ✗ | 22 | 176 | 1 | 5.3109 | 5.345 | 0.000 | (0;000) | ✗ | 07/08/17 |
AsCl2F3 | ICSD | 33884 | P4/n (85) | ✔ | 24 | 160 | 1 | 3.3147 | 3.340 | 0.000 | (0;000) | ✗ | 04/08/17 |
K2RbPdF5 | ICSD | 33887 | P4/mbm (127) | ✔ | 18 | 160 | 1 | 2.4213 | 2.423 | 0.000 | (0;000) | ✗ | 02/02/17 |
K2PdF4 | ICSD | 33888 | C2/m (12) | ✔ | 7 | 64 | 1 | 2.0078 | 2.089 | 0.000 | (0;000) | ✗ | 27/01/17 |
Cs2Ni3Se4 | ICSD | 33891 | Fmmm (69) | ✔ | 9 | 72 | 1 | 0.6 | 0.806 | 0.000 | (0;000) | ✗ | 02/02/17 |
Cs2Pd3Se4 | ICSD | 33892 | Fmmm (69) | ✔ | 9 | 96 | 1 | 1.0442 | 1.135 | 0.000 | (0;000) | ✗ | 02/02/17 |
Cs2Pt3Se4 | ICSD | 33893 | Fmmm (69) | ✔ | 9 | 72 | 1 | 1.2542 | 1.348 | 0.000 | (0;000) | ✗ | 02/02/17 |
Sr4P2O | ICSD | 33903 | I4/mmm (139) | ✔ | 7 | 56 | 1 | 1.2028 | 1.238 | 0.000 | (0;000) | ✗ | 27/01/17 |
Sr4As2O | ICSD | 33904 | I4/mmm (139) | ✔ | 7 | 56 | 1 | 1.1057 | 1.131 | 0.000 | (0;000) | ✗ | 05/01/17 |
Ba4As2O | ICSD | 33905 | I4/mmm (139) | ✔ | 7 | 56 | 1 | 0.5273 | 0.527 | 0.000 | (0;000) | ✗ | 30/01/17 |
Ba4P2O | ICSD | 33906 | Cmce (64) | ✔ | 14 | 112 | 1 | 0.8159 | 0.816 | 0.000 | (0;000) | ✗ | 02/02/17 |
AgPbBrO | ICSD | 33913 | P4/nmm (129) | ✔ | 8 | 76 | 3 | 0.3728 | 0.442 | 0.000 | (0;000) | ✗ | 05/01/17 |
SrNi5P3 | ICSD | 33914 | Cmcm (63) | ✔ | 18 | 150 | 3 | 0.0 | 0.000 | 0.951 | (0;110) | ✗ | 02/02/17 |
SrNi5As3 | ICSD | 33915 | Cmcm (63) | ✔ | 18 | 150 | 3 | 0.0 | 0.000 | 0.962 | (0;110) | ✗ | 30/01/17 |
K3BrO | ICSD | 33920 | Pm-3m (221) | ✔ | 5 | 40 | 1 | 0.9272 | 0.927 | 0.000 | (0;000) | ✗ | 27/01/17 |
KSnSb | ICSD | 33933 | P6_3mc (186) | ✗ | 6 | 56 | 1 | 0.2551 | 0.301 | 0.000 | (0;000) | ✔ | 06/10/16 |
Na4Sr(SiO3)3 | ICSD | 33943 | C2 (5) | ✗ | 17 | 112 | 1 | 4.2957 | 4.296 | 0.000 | (0;000) | ✗ | 29/03/17 |
C(ClF)2 | ICSD | 33946 | F2dd (43) | ✗ | 10 | 64 | 1 | 5.5318 | 5.537 | 0.000 | (0;000) | ✗ | 06/10/16 |
C(ClF)2 | ICSD | 33947 | F2dd (43) | ✗ | 10 | 64 | 1 | 5.63 | 5.635 | 0.000 | (0;000) | ✗ | 06/10/16 |
C(ClF)2 | ICSD | 33948 | F2dd (43) | ✗ | 10 | 64 | 1 | 5.7375 | 5.742 | 0.000 | (0;000) | ✗ | 06/10/16 |
BaH4(BrO)2 | ICSD | 33949 | C2/c (15) | ✔ | 18 | 80 | 1 | 4.3322 | 4.332 | 0.000 | (0;000) | ✗ | 02/02/17 |
Cs5Te3 | ICSD | 34000 | C2/m (12) | ✔ | 16 | 126 | 1 | 0.223 | 0.223 | 0.000 | (0;000) | ✗ | 22/03/17 |
Si2N2O | ICSD | 34025 | Cmc2_1 (36) | ✗ | 10 | 48 | 3 | 5.1872 | 5.187 | 0.000 | (0;000) | ✗ | 06/10/16 |
LiSiNO | ICSD | 34106 | Pca2_1 (29) | ✗ | 16 | 72 | 1 | 5.3934 | 5.555 | 0.000 | (0;000) | ✗ | 15/02/17 |
LiSi2N3 | ICSD | 34118 | Ccm2_1 (36) | ✗ | 12 | 52 | 3 | 4.9582 | 5.231 | 0.000 | (0;000) | ✗ | 06/10/16 |
Fe(Si2O3)2 | ICSD | 34181 | P1 (1) | ✗ | 11 | 60 | 1 | 0.0 | 0.022 | 0.092 | (0;000) | ✔ | 06/10/16 |
LiBO2 | ICSD | 34256 | I-42d (122) | ✗ | 8 | 36 | 3 | 7.3954 | 7.536 | 0.000 | (0;000) | ✗ | 07/10/16 |
TlN3 | ICSD | 34271 | I4/mcm (140) | ✔ | 8 | 56 | 1 | 1.3825 | 1.933 | 0.000 | (0;000) | ✗ | 27/01/17 |
RbN3 | ICSD | 34273 | I4/mcm (140) | ✔ | 8 | 48 | 1 | 4.3028 | 4.303 | 0.000 | (0;000) | ✗ | 27/01/17 |
NaH2N | ICSD | 34290 | Fddd (70) | ✔ | 16 | 64 | 1 | 1.8569 | 1.857 | 0.000 | (0;000) | ✗ | 27/01/17 |
NiF2 | ICSD | 34307 | Pmnn (58) | ✔ | 6 | 48 | 3 | 0.0 | 0.017 | 0.293 | (0;000) | ✗ | 06/10/16 |
Li2ZnGeO4 | ICSD | 34362 | Pc (7) | ✗ | 16 | 92 | 3 | 3.3234 | 3.361 | 0.000 | (0;000) | ✗ | 15/02/17 |
VO2 | ICSD | 34419 | F222 (22) | ✗ | 24 | 200 | 3 | 0.0 | 0.004 | 0.748 | ? | ✗ | 04/08/17 |
Na2CuF4 | ICSD | 34602 | P2_1/c (14) | ✔ | 14 | 114 | 1 | 0.0 | 0.000 | 0.562 | (0;010) | ✗ | 27/01/17 |
K2ZnO2 | ICSD | 34603 | Ibam (72) | ✔ | 10 | 84 | 2 | 2.1272 | 2.127 | 0.000 | (0;000) | ✗ | 27/01/17 |
Sr4Ti3O10 | ICSD | 34630 | I4/mmm (139) | ✔ | 17 | 136 | 2 | 1.9115 | 2.185 | 0.000 | (0;000) | ✗ | 11/04/17 |
LiN3 | ICSD | 34675 | C2/m (12) | ✔ | 4 | 18 | 1 | 3.7952 | 4.288 | 0.000 | (0;000) | ✗ | 27/01/17 |
Ge2N2O | ICSD | 34793 | Cmc2_1 (36) | ✗ | 10 | 48 | 3 | 3.0353 | 3.257 | 0.000 | (0;000) | ✗ | 06/10/16 |
SrAl4O7 | ICSD | 34803 | Cmme (67) | ✔ | 24 | 128 | 3 | 5.1216 | 5.168 | 0.000 | (0;000) | ✗ | 04/08/17 |
KScO2 | ICSD | 34958 | R-3m (166) | ✔ | 4 | 32 | 2 | 3.7269 | 4.188 | 0.000 | (0;000) | ✗ | 27/01/17 |