▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▴ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
NiBr2 | COD | 9008013 | R-3m (166) | ✔ | 3 | 24 | 2 | 0.0 | 0.031 | 0.538 | (0;000) | ✗ | 27/01/17 |
TiBr2 | ICSD | 26078 | P-3m1 (164) | ✔ | 3 | 26 | 2 | 0.0 | 0.005 | 0.539 | (0;000) | ✗ | 27/01/17 |
MgBr2 | COD | 9009107 | P-3m1 (164) | ✔ | 3 | 24 | 2 | 4.1115 | 4.112 | 0.000 | (0;000) | ✗ | 27/01/17 |
ZnBr2 | COD | 9011540 | R-3m (166) | ✔ | 3 | 26 | 2 | 2.4418 | 2.445 | 0.000 | (0;000) | ✗ | 27/01/17 |
Li2FeBr4 | ICSD | 82199 | Cmmm (65) | ✔ | 7 | 42 | 2 | 0.4178 | 0.418 | 0.000 | (0;000) | ✗ | 27/01/17 |
Li2MgBr4 | ICSD | 73276 | Cmmm (65) | ✔ | 7 | 44 | 2 | 4.4109 | 4.411 | 0.000 | (0;000) | ✗ | 27/01/17 |
SrHgO2 | ICSD | 69739 | P3_2 (145) | ✗ | 12 | 102 | 2 | 2.4955 | 2.570 | 0.000 | (0;000) | ✗ | 06/10/16 |
CrSBr | ICSD | 69659 | Pmmn (59) | ✔ | 6 | 54 | 2 | 0.0 | 0.000 | 0.938 | (0;000) | ✗ | 27/01/17 |
CuHOF | ICSD | 98698 | P2_1/c (14) | ✔ | 16 | 100 | 2 | 0.0 | 0.052 | 0.272 | (0;010) | ✗ | 27/01/17 |
CuBr | COD | 9013931 | P4/nmm (129) | ✔ | 4 | 36 | 2 | 0.7515 | 0.752 | 0.000 | (0;000) | ✗ | 27/01/17 |
PbBrF | COD | 9009175 | P4/nmm (129) | ✔ | 6 | 56 | 2 | 2.2754 | 2.275 | 0.000 | (0;000) | ✗ | 27/01/17 |
HfBrN | COD | 1532008 | Pmmn (59) | ✔ | 6 | 48 | 2 | 2.226 | 2.226 | 0.000 | (0;000) | ✗ | 27/01/17 |
HfBrN | ICSD | 190383 | R-3m (166) | ✔ | 6 | 48 | 2 | 1.8563 | 2.445 | 0.000 | (0;000) | ✗ | 27/01/17 |
InBrO | ICSD | 24059 | Pmmn (59) | ✔ | 6 | 52 | 2 | 2.2656 | 2.325 | 0.000 | (0;000) | ✗ | 27/01/17 |
ZrBrN | ICSD | 27393 | Pmmn (59) | ✔ | 6 | 32 | 2 | 1.224 | 1.224 | 0.000 | (0;000) | ✗ | 27/01/17 |
TiBrN | ICSD | 27395 | Pmmn (59) | ✔ | 6 | 48 | 2 | 0.1946 | 0.195 | 0.000 | (0;000) | ✗ | 27/01/17 |
ZrBrN | ICSD | 51771 | R-3m (166) | ✔ | 6 | 32 | 2 | 1.2522 | 1.887 | 0.000 | (0;000) | ✗ | 27/01/17 |
ScBrO | COD | 2206575 | Pmmn (59) | ✔ | 6 | 48 | 2 | 3.3438 | 3.344 | 0.000 | (0;000) | ✗ | 27/01/17 |
TiBrO | COD | 1523160 | Pmmn (59) | ✔ | 6 | 50 | 2 | 0.0 | 0.000 | 0.900 | (0;001) | ✗ | 27/01/17 |
VBrO | ICSD | 27010 | Pmmn (59) | ✔ | 6 | 52 | 2 | 0.0 | 0.005 | 0.462 | (0;001) | ✗ | 27/01/17 |
PbS | ICSD | 183249 | Pbm2 (28) | ✗ | 8 | 80 | 2 | 0.8462 | 1.424 | 0.000 | (0;000) | ✗ | 06/10/16 |
ZrBr | COD | 4343762 | R-3m (166) | ✔ | 4 | 22 | 2 | 0.0 | 0.043 | 0.167 | (0;111) | ✗ | 27/01/17 |
PbS | ICSD | 183255 | P6_3mc (186) | ✗ | 4 | 40 | 2 | 0.8123 | 1.012 | 0.000 | (0;000) | ✗ | 06/10/16 |
LiCuO2 | ICSD | 74978 | C2/m (12) | ✔ | 4 | 26 | 2 | 0.4034 | 0.819 | 0.000 | (0;000) | ✗ | 27/01/17 |
KCuO2 | COD | 1530993 | Cmcm (63) | ✔ | 8 | 64 | 2 | 0.923 | 1.302 | 0.000 | (0;000) | ✗ | 27/01/17 |
NaInS2 | ICSD | 640037 | R-3m (166) | ✔ | 4 | 34 | 2 | 1.9197 | 2.109 | 0.000 | (0;000) | ✗ | 27/01/17 |
NaInSe2 | ICSD | 25558 | R-3m (166) | ✔ | 4 | 34 | 2 | 1.0445 | 1.212 | 0.000 | (0;000) | ✗ | 27/01/17 |
KCuTe | COD | 7221373 | P6_3/mmc (194) | ✔ | 6 | 52 | 2 | 0.5401 | 0.540 | 0.000 | (0;000) | ✗ | 27/01/17 |
PbS | ICSD | 68701 | Cm2e (39) | ✗ | 4 | 40 | 2 | 1.0016 | 1.003 | 0.000 | (0;000) | ✗ | 06/10/16 |
PbO | ICSD | 15402 | Pmab (57) | ✔ | 8 | 80 | 2 | 1.8544 | 2.040 | 0.000 | (0;000) | ✗ | 06/10/16 |
Ca(BC)2 | ICSD | 88019 | I4/mcm (140) | ✔ | 10 | 48 | 2 | 0.4846 | 1.005 | 0.000 | (0;000) | ✗ | 27/01/17 |
PbS | ICSD | 68712 | C2 (5) | ✗ | 4 | 40 | 2 | 1.0591 | 1.094 | 0.000 | (0;000) | ✗ | 06/10/16 |
PbO | ICSD | 62846 | P4/nmm (129) | ✔ | 4 | 40 | 2 | 1.1693 | 2.163 | 0.000 | (0;000) | ✗ | 06/10/16 |
BaMg(CO3)2 | COD | 9011458 | R-3m (166) | ✔ | 10 | 64 | 2 | 4.0954 | 4.178 | 0.000 | (0;000) | ✗ | 27/01/17 |
CaMg(CO3)2 | COD | 1200014 | R-3 (148) | ✔ | 10 | 64 | 2 | 5.1415 | 5.552 | 0.000 | (0;000) | ✗ | 27/01/17 |
NaCuO2 | COD | 1529687 | C2/m (12) | ✔ | 4 | 32 | 2 | 0.5401 | 0.941 | 0.000 | (0;000) | ✗ | 27/01/17 |
CaMg(CO3)2 | COD | 9001415 | R-3 (148) | ✔ | 10 | 64 | 2 | 5.1156 | 5.545 | 0.000 | (0;000) | ✗ | 27/01/17 |
PbSe | ICSD | 74334 | F2mm (42) | ✗ | 4 | 40 | 2 | 0.9339 | 0.934 | 0.000 | (0;000) | ✗ | 06/10/16 |
RbCuO2 | COD | 1527506 | Cmcm (63) | ✔ | 8 | 64 | 2 | 0.9467 | 1.340 | 0.000 | (0;000) | ✗ | 27/01/17 |
KCuC2 | ICSD | 412038 | P4_2/mmc (131) | ✔ | 8 | 56 | 2 | 2.0604 | 2.060 | 0.000 | (0;000) | ✗ | 27/01/17 |
Li2CuP | COD | 4000338 | P6_3/mmc (194) | ✔ | 8 | 44 | 2 | 0.0 | 0.718 | 0.239 | (0;000) | ✗ | 27/01/17 |
TePt | ICSD | 41383 | C2/m (12) | ✔ | 4 | 32 | 2 | 0.0 | 0.077 | 0.748 | (1;111) | ✔ | 06/10/16 |
Zn(H3C)2 | ICSD | 262113 | P2_1/c (14) | ✔ | 18 | 52 | 2 | 4.5024 | 4.572 | 0.000 | (0;000) | ✗ | 27/01/17 |
HgC2(SN)2 | ICSD | 10304 | C2/m (12) | ✔ | 7 | 42 | 2 | 2.286 | 2.380 | 0.000 | (0;000) | ✗ | 27/01/17 |
NbI2O | ICSD | 36255 | C2 (5) | ✗ | 8 | 66 | 2 | 0.8298 | 0.837 | 0.000 | (0;000) | ✗ | 06/10/16 |
VO2 | ICSD | 1501 | P-1 (2) | ✔ | 12 | 100 | 2 | 0.0 | 0.011 | 0.534 | (1;001) | ✗ | 06/10/16 |
Nb3TeI7 | ICSD | 86724 | P3m1 (156) | ✗ | 11 | 94 | 2 | 0.4176 | 0.421 | 0.000 | (0;000) | ✔ | 06/10/16 |
NbI3O | ICSD | 418088 | C2 (5) | ✗ | 10 | 80 | 2 | 0.8135 | 0.850 | 0.000 | (0;000) | ✗ | 06/10/16 |
Rb2NiF4 | ICSD | 69682 | I4/mmm (139) | ✔ | 7 | 56 | 2 | 0.0 | 0.006 | 0.710 | (0;000) | ✗ | 27/01/17 |
MgC2 | ICSD | 88057 | P4_2/mnm (136) | ✔ | 6 | 36 | 2 | 2.874 | 3.338 | 0.000 | (0;000) | ✗ | 27/01/17 |