▹ Formula | ▴ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
YSiAu | ICSD | 72000 | P6_3mc (186) | ✗ | 6 | 52 | 3 | 0.0 | 0.007 | 0.176 | (0;000) | ✔ | 06/10/16 |
GeSe2 | ICSD | 50761 | I-42d (122) | ✗ | 6 | 32 | 3 | 1.4346 | 1.788 | 0.000 | (0;000) | ✗ | 06/10/16 |
TaFeSi | ICSD | 633568 | Pnma (62) | ✔ | 12 | 100 | 3 | 0.0 | 0.001 | 0.529 | (1;011) | ✗ | 27/01/17 |
YFeSi | ICSD | 633643 | P4/nmm (129) | ✔ | 6 | 46 | 3 | 0.0 | 0.000 | 0.881 | (1;000) | ✗ | 27/01/17 |
ZrFeSi | ICSD | 633674 | Pnma (62) | ✔ | 12 | 64 | 3 | 0.0 | 0.092 | 0.200 | (0;000) | ✗ | 27/01/17 |
BiI3 | ICSD | 187611 | Pnam (62) | ✔ | 16 | 104 | 3 | 0.0 | 0.026 | 0.642 | (0;000) | ✗ | 06/10/16 |
FeSn | ICSD | 150691 | P6_3/mmc (194) | ✔ | 4 | 44 | 3 | 0.0 | 0.012 | 0.493 | (1;000) | ✗ | 27/01/17 |
YSnAu | ICSD | 415826 | P6_3mc (186) | ✗ | 6 | 72 | 3 | 0.0 | 0.014 | 0.191 | (1;000) | ✔ | 28/10/16 |
Ga3BN4 | ICSD | 187048 | P-43m (215) | ✗ | 8 | 62 | 3 | 2.5318 | 2.532 | 0.000 | (0;000) | ✗ | 06/10/16 |
BiI3 | ICSD | 56570 | R-3 (148) | ✔ | 8 | 72 | 2 | 1.1573 | 1.189 | 0.000 | (0;000) | ✗ | 06/10/16 |
GaBN2 | ICSD | 187049 | P-4m2 (115) | ✗ | 4 | 26 | 3 | 3.328 | 3.344 | 0.000 | (0;000) | ✗ | 06/10/16 |
GaB3N4 | ICSD | 187050 | P-43m (215) | ✗ | 8 | 42 | 3 | 3.7874 | 3.787 | 0.000 | (0;000) | ✗ | 06/10/16 |
ZrAg2 | ICSD | 605995 | I4/mmm (139) | ✔ | 3 | 26 | 3 | 0.0 | 0.036 | 0.072 | (1;000) | ✗ | 05/01/17 |
Bi2O3 | ICSD | 168810 | R3m (160) | ✗ | 10 | 56 | 2 | 2.2643 | 2.309 | 0.000 | (0;000) | ✗ | 06/10/16 |
V3Fe | ICSD | 634028 | Pm-3n (223) | ✔ | 8 | 94 | 3 | 0.0 | 0.000 | 0.820 | (0;000) | ✗ | 27/01/17 |
GeSe2 | ICSD | 90956 | I-4 (82) | ✗ | 6 | 32 | 3 | 0.9941 | 1.393 | 0.000 | (0;000) | ✗ | 06/10/16 |
In2Bi | ICSD | 1247 | Ccmm (63) | ✔ | 6 | 62 | 3 | 0.0 | 0.000 | 0.715 | (0;000) | ✗ | 06/10/16 |
LiFeSO4F | ICSD | 182944 | P-1 (2) | ✔ | 16 | 96 | 3 | 0.3415 | 0.363 | 0.000 | (0;000) | ✗ | 27/01/17 |
NaFeSO4F | ICSD | 262276 | C2/c (15) | ✔ | 16 | 108 | 3 | 0.1321 | 0.161 | 0.000 | (0;000) | ✗ | 27/01/17 |
Sr2FeO3F | ICSD | 93510 | P4/nmm (129) | ✔ | 14 | 106 | 1 | 0.0 | 0.000 | 0.858 | (0;000) | ✗ | 27/01/17 |
FeSO4F | ICSD | 182945 | C2/c (15) | ✔ | 14 | 90 | 3 | 0.0 | 0.001 | 0.521 | (1;100) | ✗ | 27/01/17 |
H3OF | ICSD | 24382 | Pnma (62) | ✔ | 20 | 64 | 1 | 6.8666 | 6.867 | 0.000 | (0;000) | ✗ | 27/01/17 |
LiBeB | ICSD | 191998 | P3m1 (156) | ✗ | 12 | 40 | 1 | 0.2863 | 0.631 | 0.000 | (0;000) | ✔ | 06/10/16 |
MgHOF | ICSD | 186501 | Pnma (62) | ✔ | 16 | 96 | 3 | 4.8158 | 4.816 | 0.000 | (0;000) | ✗ | 27/01/17 |
F2 | ICSD | 16262 | C2/c (15) | ✔ | 4 | 28 | 1 | 1.3602 | 1.360 | 0.000 | (0;000) | ✗ | 27/01/17 |
KNb4O5F | ICSD | 88880 | P4/mmm (123) | ✔ | 11 | 98 | 3 | 0.0 | 0.004 | 0.604 | (0;000) | ✗ | 27/01/17 |
InOF | ICSD | 2521 | Fddd (70) | ✔ | 12 | 104 | 3 | 1.6122 | 1.612 | 0.000 | (0;000) | ✗ | 27/01/17 |
KSeO2F | ICSD | 78398 | P2_1/m (11) | ✔ | 10 | 68 | 1 | 3.8904 | 3.918 | 0.000 | (0;000) | ✗ | 27/01/17 |
KSO2F | ICSD | 93058 | P2_1/m (11) | ✔ | 10 | 68 | 1 | 4.566 | 4.574 | 0.000 | (0;000) | ✗ | 27/01/17 |
Mg2NF | ICSD | 262327 | I4_1/amd (141) | ✔ | 8 | 64 | 3 | 2.2789 | 2.355 | 0.000 | (0;000) | ✗ | 27/01/17 |
InAg3(PO4)2 | ICSD | 245001 | C2/m (12) | ✔ | 14 | 104 | 3 | 1.2304 | 1.490 | 0.000 | (0;000) | ✗ | 05/01/17 |
NaMgSO4F | ICSD | 262272 | C2/c (15) | ✔ | 16 | 112 | 3 | 5.6507 | 5.651 | 0.000 | (0;000) | ✗ | 27/01/17 |
SrMnPF | ICSD | 189939 | P4/nmm (129) | ✔ | 8 | 74 | 1 | 0.0 | 0.000 | 0.872 | (0;001) | ✗ | 27/01/17 |
SrMnSbF | ICSD | 189941 | P4/nmm (129) | ✔ | 8 | 74 | 1 | 0.0 | 0.000 | 0.875 | (1;001) | ✗ | 27/01/17 |
NaYPO4F | ICSD | 51463 | C2/m (12) | ✔ | 16 | 112 | 3 | 5.7036 | 5.731 | 0.000 | (0;000) | ✗ | 27/01/17 |
NaZnSO4F | ICSD | 262274 | C2/c (15) | ✔ | 16 | 116 | 3 | 4.4205 | 4.421 | 0.000 | (0;000) | ✗ | 27/01/17 |
RbSO2F | ICSD | 89603 | P2_1/m (11) | ✔ | 10 | 68 | 1 | 4.7165 | 4.722 | 0.000 | (0;000) | ✗ | 27/01/17 |
ScSeO3F | ICSD | 251184 | P-1 (2) | ✔ | 12 | 84 | 3 | 3.8993 | 3.981 | 0.000 | (0;000) | ✗ | 27/01/17 |
YSeO3F | ICSD | 251183 | P2_1/m (11) | ✔ | 12 | 84 | 3 | 4.006 | 4.135 | 0.000 | (0;000) | ✗ | 27/01/17 |
VPO4F | ICSD | 183878 | C2/c (15) | ✔ | 14 | 98 | 3 | 0.0 | 0.000 | 0.779 | (1;100) | ✗ | 27/01/17 |
LiBeB | ICSD | 191999 | Im2m (44) | ✗ | 12 | 40 | 2 | 0.486 | 0.968 | 0.000 | (0;000) | ✔ | 06/10/16 |
K3Bi | ICSD | 26885 | Ccmm (63) | ✔ | 8 | 84 | 1 | 0.0 | 0.006 | 0.037 | (0;000) | ✗ | 06/10/16 |
CuBIr | ICSD | 75029 | F2dd (43) | ✗ | 12 | 124 | 3 | 0.0 | 0.109 | 0.190 | (1;010) | ✔ | 20/12/16 |
ScOF | ICSD | 100564 | P2_1/c (14) | ✔ | 12 | 96 | 3 | 4.571 | 4.696 | 0.000 | (0;000) | ✗ | 27/01/17 |
NbFeB | ICSD | 20298 | P-62m (189) | ✗ | 9 | 72 | 3 | 0.0 | 0.000 | 0.914 | ? | ✗ | 06/10/16 |
YOF | ICSD | 76426 | P4/nmm (129) | ✔ | 6 | 48 | 3 | 2.122 | 2.228 | 0.000 | (0;000) | ✗ | 27/01/17 |
GeSe2 | ICSD | 90957 | P-4 (81) | ✗ | 12 | 64 | 3 | 0.7241 | 0.727 | 0.000 | (0;000) | ✔ | 10/10/16 |
K3Bi | ICSD | 58793 | Fm-3m (225) | ✔ | 4 | 42 | 1 | 0.0 | 0.000 | 0.012 | (1;000) | ✗ | 05/01/17 |
NbFeB | ICSD | 614046 | P-62m (189) | ✗ | 9 | 72 | 3 | 0.0 | 0.000 | 0.664 | ? | ✗ | 06/10/16 |
SrZnSbF | ICSD | 189935 | P4/nmm (129) | ✔ | 8 | 68 | 1 | 0.0103 | 0.016 | 0.000 | (0;000) | ✗ | 27/01/17 |