▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▴ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
TaN | ICSD | 76457 | P6/mmm (191) | ✔ | 6 | 54 | 3 | 0.0 | 0.015 | 0.696 | (0;001) | ✗ | 27/01/17 |
Sb2AsS2 | COD | 9001702 | C2/m (12) | ✔ | 10 | 54 | 3 | 0.1714 | 0.253 | 0.000 | (0;000) | ✗ | 30/01/17 |
GeI2 | ICSD | 23176 | P-3m1 (164) | ✔ | 9 | 54 | 2 | 1.3784 | 1.659 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ni(N3Cl)2 | COD | 9014070 | Fm-3m (225) | ✔ | 9 | 54 | 1 | 0.0 | 0.001 | 0.367 | (1;000) | ✗ | 02/02/17 |
GeAs | ICSD | 86361 | C2/m (12) | ✔ | 12 | 54 | 3 | 0.3292 | 0.355 | 0.000 | (0;000) | ✗ | 30/01/17 |
ZnBi | COD | 7221256 | P6_3mc (186) | ✗ | 4 | 54 | 3 | 0.0 | 0.000 | 0.710 | ? | ✗ | 15/02/17 |
SO2 | COD | 7103014 | P3_221 (154) | ✗ | 9 | 54 | 3 | 0.0 | 0.013 | 0.317 | (1;100) | ✔ | 15/02/17 |
Te4Pt3 | ICSD | 41372 | R-3m (166) | ✔ | 7 | 54 | 3 | 0.0 | 0.033 | 0.760 | (0;111) | ✗ | 29/03/17 |
Li7Br3O2 | ICSD | 67264 | I4/mmm (139) | ✔ | 12 | 54 | 1 | 4.0341 | 4.314 | 0.000 | (0;000) | ✗ | 21/03/17 |
Sc2Sb | COD | 8100587 | P4/nmm (129) | ✔ | 6 | 54 | 3 | 0.0 | 0.000 | 0.836 | (1;000) | ✗ | 27/01/17 |
YTiSi | ICSD | 88113 | P4/nmm (129) | ✔ | 6 | 54 | 3 | 0.0 | 0.000 | 0.677 | (0;001) | ✗ | 27/01/17 |
Ti3TlN | ICSD | 42931 | Pm-3m (221) | ✔ | 5 | 54 | 3 | 0.0 | 0.004 | 0.212 | (0;111) | ✗ | 27/01/17 |
Pt3O4 | ICSD | 27836 | Im-3m (229) | ✔ | 7 | 54 | 3 | 0.0 | 0.000 | 0.753 | (1;111) | ✗ | 27/01/17 |
TiS | COD | 9015328 | R-3m (166) | ✔ | 6 | 54 | 3 | 0.0 | 0.005 | 0.828 | (1;111) | ✗ | 29/03/17 |
Sr(PRh)2 | ICSD | 50186 | I4/mmm (139) | ✔ | 5 | 54 | 2 | 0.0 | 0.018 | 0.576 | (1;000) | ✗ | 27/01/17 |
ZrNi5 | ICSD | 647157 | F-43m (216) | ✗ | 6 | 54 | 3 | 0.0 | 0.001 | 0.892 | ? | ✗ | 15/02/17 |
ReO2 | ICSD | 154021 | P4_2/mnm (136) | ✔ | 6 | 54 | 3 | 0.0 | 0.000 | 0.836 | (0;000) | ✗ | 27/01/17 |
CaGaH4 | ICSD | 240695 | P2_1 (4) | ✗ | 12 | 54 | 1 | 0.0 | 0.001 | 0.416 | ? | ✗ | 15/02/17 |
ZrSb | ICSD | 52404 | Cmcm (63) | ✔ | 12 | 54 | 3 | 0.0 | 0.000 | 0.705 | (1;000) | ✗ | 02/02/17 |
TaN | COD | 9008975 | P6/mmm (191) | ✔ | 6 | 54 | 3 | 0.0 | 0.016 | 0.293 | (0;001) | ✗ | 27/01/17 |
Zr3Te | ICSD | 653216 | R-3m (166) | ✔ | 12 | 54 | 3 | 0.0 | 0.047 | 0.356 | (0;111) | ✗ | 27/01/17 |
BH6CN3F4 | ICSD | 202434 | R3m (160) | ✗ | 15 | 56 | 1 | 6.1298 | 6.130 | 0.000 | (0;000) | ✗ | 15/02/17 |
PbIF | COD | 9007903 | P4/nmm (129) | ✔ | 6 | 56 | 2 | 1.4024 | 1.402 | 0.000 | (0;000) | ✗ | 22/03/17 |
ICl3 | COD | 4336764 | P-1 (2) | ✔ | 8 | 56 | 1 | 1.572 | 1.573 | 0.000 | (0;000) | ✗ | 02/02/17 |
RbCuC2 | ICSD | 412039 | P4_2/mmc (131) | ✔ | 8 | 56 | 2 | 2.067 | 2.067 | 0.000 | (0;000) | ✗ | 02/02/17 |
BaGaH5 | ICSD | 240693 | P2_1 (4) | ✗ | 14 | 56 | 1 | 3.2526 | 3.526 | 0.000 | (0;000) | ✗ | 15/02/17 |
Cs2Pt | ICSD | 413241 | P6_3/mmc (194) | ✔ | 6 | 56 | 2 | 1.2769 | 1.369 | 0.000 | (0;000) | ✗ | 02/02/17 |
CrI2 | ICSD | 2596 | Cmc2_1 (36) | ✗ | 6 | 56 | 1 | 0.0 | 0.015 | 0.412 | ? | ✗ | 22/03/17 |
SiPt | COD | 9008940 | Pnma (62) | ✔ | 8 | 56 | 3 | 0.0 | 0.114 | 0.301 | (0;000) | ✗ | 27/01/17 |
Ca3AsBr3 | ICSD | 426 | Pm-3m (221) | ✔ | 7 | 56 | 1 | 1.5395 | 1.540 | 0.000 | (0;000) | ✗ | 30/01/17 |
SiH3F | ICSD | 60065 | P2_1/c (14) | ✔ | 20 | 56 | 1 | 6.3681 | 6.415 | 0.000 | (0;000) | ✗ | 02/02/17 |
TlRe | COD | 9015220 | Imma (74) | ✔ | 4 | 56 | 1 | 0.0 | 0.002 | 0.224 | (0;000) | ✗ | 02/02/17 |
Cr(HO)2 | COD | 9015967 | Pnnm (58) | ✔ | 10 | 56 | 3 | 0.0 | 0.001 | 0.376 | (0;000) | ✗ | 04/08/17 |
H4CO | COD | 4503066 | P2_12_12_1 (19) | ✗ | 24 | 56 | 1 | 5.7653 | 5.781 | 0.000 | (0;000) | ✗ | 04/08/17 |
Pt(S3N)2 | COD | 9015488 | P-3m1 (164) | ✔ | 9 | 56 | 1 | 0.0 | 0.002 | 0.439 | (0;000) | ✗ | 02/02/17 |
Mg2Al2Se5 | ICSD | 41928 | P-3m1 (164) | ✔ | 9 | 56 | 2 | 0.7242 | 0.724 | 0.000 | (0;000) | ✗ | 30/01/17 |
SiAs2 | ICSD | 24801 | Pa3 (205) | ✔ | 12 | 56 | 3 | 0.0 | 0.371 | 0.357 | (0;000) | ✗ | 30/01/17 |
BiIO | COD | 9009164 | P4/nmm (129) | ✔ | 6 | 56 | 2 | 1.1644 | 1.228 | 0.000 | (0;000) | ✗ | 21/03/17 |
PbI2 | ICSD | 108914 | R-3m (166) | ✔ | 6 | 56 | 1 | 1.4435 | 1.728 | 0.000 | (0;000) | ✗ | 02/02/17 |
F2 | COD | 9012465 | Pm-3n (223) | ✔ | 8 | 56 | 1 | 0.0 | 0.000 | 0.909 | (1;000) | ✗ | 02/02/17 |
PH2F3 | ICSD | 406359 | Cmc2_1 (36) | ✗ | 12 | 56 | 1 | 6.9776 | 6.978 | 0.000 | (0;000) | ✗ | 15/02/17 |
H2O2 | COD | 9014214 | P4_12_12 (92) | ✗ | 16 | 56 | 1 | 4.7599 | 4.772 | 0.000 | (0;000) | ✗ | 15/02/17 |
ZrP2 | ICSD | 24352 | Pnma (62) | ✔ | 12 | 56 | 3 | 0.0 | 0.014 | 0.085 | (1;000) | ✗ | 27/01/17 |
ZrZnNi4 | COD | 1523279 | F-43m (216) | ✗ | 6 | 56 | 3 | 0.0 | 0.000 | 0.408 | ? | ✗ | 15/02/17 |
SiP2 | ICSD | 30693 | Pa3 (205) | ✔ | 12 | 56 | 3 | 0.0 | 0.924 | 0.248 | (0;000) | ✗ | 27/01/17 |
SiS4 | ICSD | 59708 | P2_1/m (11) | ✔ | 10 | 56 | 1 | 0.0 | 0.017 | 0.532 | (0;010) | ✗ | 02/02/17 |
Sr(SbPd)2 | ICSD | 61195 | I4/mmm (139) | ✔ | 5 | 56 | 3 | 0.0 | 0.008 | 0.775 | (0;000) | ✗ | 27/01/17 |
LiSi | ICSD | 96509 | I4_1/a (88) | ✔ | 16 | 56 | 1 | 0.0 | 0.085 | 0.336 | (1;111) | ✗ | 02/02/17 |
LiGe | COD | 4030886 | I4_1/a (88) | ✔ | 16 | 56 | 3 | 0.0 | 0.099 | 0.259 | (1;111) | ✗ | 02/02/17 |
H4C3O2 | COD | 2003673 | P1 (1) | ✗ | 18 | 56 | 1 | 3.6547 | 3.754 | 0.000 | (0;000) | ✗ | 15/02/17 |