▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▴ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
BaAlBO3F2 | ICSD | 91316 | P6_3/m (176) | ✔ | 16 | 96 | 2 | 6.2505 | 6.548 | 0.000 | (0;000) | ✗ | 05/01/17 |
ZrPbF6 | ICSD | 4051 | Cmme (67) | ✔ | 16 | 120 | 3 | 4.6036 | 4.647 | 0.000 | (0;000) | ✗ | 02/02/17 |
KSbF6 | ICSD | 42509 | P4_2/mcm (132) | ✔ | 16 | 112 | 1 | 6.093 | 6.093 | 0.000 | (0;000) | ✗ | 02/02/17 |
Tl3AsO4 | ICSD | 407561 | P6_3 (173) | ✗ | 16 | 136 | 3 | 2.3911 | 2.619 | 0.000 | (0;000) | ✗ | 21/03/17 |
AsPd3 | ICSD | 611189 | I-4 (82) | ✗ | 16 | 236 | 3 | 0.0 | 0.022 | 0.832 | ? | ✗ | 21/03/17 |
RbAs | ICSD | 412594 | P2_12_12_1 (19) | ✗ | 16 | 112 | 1 | 0.67 | 0.670 | 0.000 | (0;000) | ✗ | 21/03/17 |
CaAlSiO4F | ICSD | 87663 | C2/c (15) | ✔ | 16 | 96 | 3 | 5.4487 | 5.449 | 0.000 | (0;000) | ✗ | 05/01/17 |
RbC2I3N2 | ICSD | 35411 | Pmmn (59) | ✔ | 16 | 96 | 1 | 2.5739 | 2.800 | 0.000 | (0;000) | ✗ | 02/02/17 |
Si3Ru5 | ICSD | 650615 | Pbam (55) | ✔ | 16 | 184 | 3 | 0.0 | 0.002 | 0.869 | (0;100) | ✗ | 02/02/17 |
YMoC2 | ICSD | 618370 | Pnma (62) | ✔ | 16 | 132 | 3 | 0.0 | 0.000 | 0.492 | (0;011) | ✗ | 02/02/17 |
SrPbF6 | ICSD | 25629 | P4_2/mmc (131) | ✔ | 16 | 132 | 1 | 0.0 | 0.000 | 0.238 | (1;000) | ✗ | 02/02/17 |
Ca3C3Cl2 | ICSD | 33818 | Cmcm (63) | ✔ | 16 | 112 | 1 | 1.2545 | 1.336 | 0.000 | (0;000) | ✗ | 02/02/17 |
Fe3S | ICSD | 633291 | Pnma (62) | ✔ | 16 | 120 | 3 | 0.0 | 0.008 | 0.527 | (0;000) | ✗ | 27/01/17 |
ReF7 | ICSD | 78311 | P-1 (2) | ✔ | 16 | 128 | 1 | 2.1498 | 2.170 | 0.000 | (0;000) | ✗ | 02/02/17 |
NaAlPO4F | ICSD | 40522 | C2/c (15) | ✔ | 16 | 96 | 3 | 5.8439 | 5.844 | 0.000 | (0;000) | ✗ | 05/01/17 |
CoBi3 | ICSD | 236383 | Pmnb (62) | ✔ | 16 | 96 | 3 | 0.0 | 0.031 | 0.777 | (1;000) | ✗ | 06/10/16 |
Y3Ru | ICSD | 650772 | Pnma (62) | ✔ | 16 | 196 | 3 | 0.0 | 0.001 | 0.221 | (1;110) | ✗ | 02/02/17 |
In5Bi3 | ICSD | 1244 | I4/mcm (140) | ✔ | 16 | 160 | 3 | 0.0 | 0.027 | 0.678 | (1;000) | ✗ | 06/10/16 |
Ba5Pb3 | ICSD | 58668 | I4/mcm (140) | ✔ | 16 | 184 | 1 | 0.0 | 0.007 | 0.558 | (0;111) | ✗ | 02/02/17 |
Ca5Au3 | COD | 1510483 | I4/mcm (140) | ✔ | 16 | 166 | 1 | 0.0 | 0.000 | 0.606 | (0;111) | ✗ | 21/03/17 |
Cd5Au3 | COD | 1510486 | I4/mcm (140) | ✔ | 16 | 186 | 3 | 0.0 | 0.000 | 0.569 | (1;000) | ✗ | 21/03/17 |
La5Bi3 | ICSD | 616760 | P6_3/mcm (193) | ✔ | 16 | 60 | 3 | 0.0 | 0.001 | 0.649 | (0;000) | ✗ | 06/10/16 |
LiSn4Au3 | COD | 7209416 | P6_3mc (186) | ✗ | 16 | 184 | 3 | 0.0 | 0.003 | 0.825 | ? | ✗ | 21/03/17 |
CsMn(CN)3 | COD | 4314775 | Fm-3m (225) | ✔ | 16 | 102 | 3 | 0.0 | 0.016 | 0.649 | (0;000) | ✗ | 02/02/17 |
TlSbS2 | COD | 9007704 | P-1 (2) | ✔ | 16 | 120 | 3 | 1.3814 | 1.381 | 0.000 | (0;000) | ✗ | 02/02/17 |
NiBi3 | ICSD | 180771 | Pmnb (62) | ✔ | 16 | 100 | 3 | 0.0 | 0.003 | 0.726 | (0;011) | ✗ | 06/10/16 |
AlHO2 | COD | 1011027 | Pnma (62) | ✔ | 16 | 64 | 3 | 3.8534 | 3.853 | 0.000 | (0;000) | ✗ | 05/01/17 |
ZnAu3 | COD | 1510520 | Cmce (64) | ✔ | 16 | 180 | 3 | 0.0 | 0.014 | 0.400 | (0;000) | ✗ | 21/03/17 |
ZnAu3 | COD | 1510522 | Cmce (64) | ✔ | 16 | 180 | 3 | 0.0 | 0.003 | 0.457 | (1;000) | ✗ | 21/03/17 |
AlHO2 | COD | 9010883 | Pnma (62) | ✔ | 16 | 64 | 3 | 6.0478 | 6.048 | 0.000 | (0;000) | ✗ | 05/01/17 |
Bi3Rh | ICSD | 58853 | Pnma (62) | ✔ | 16 | 248 | 3 | 0.0 | 0.035 | 0.750 | (0;000) | ✗ | 02/02/17 |
SrZnSb2 | COD | 7221192 | Pnma (62) | ✔ | 16 | 128 | 1 | 0.0 | 0.045 | 0.030 | (1;000) | ✗ | 02/02/17 |
TaCoTe2 | ICSD | 73738 | P2_1/c (14) | ✔ | 16 | 168 | 2 | 0.0 | 0.000 | 0.235 | (0;000) | ✗ | 02/02/17 |
Pb2SO5 | ICSD | 30627 | C2/m (12) | ✔ | 16 | 128 | 3 | 2.5863 | 2.595 | 0.000 | (0;000) | ✗ | 02/02/17 |
Sr5Bi3 | ICSD | 41838 | P6_3/mcm (193) | ✔ | 16 | 130 | 1 | 0.0 | 0.000 | 0.580 | (1;000) | ✗ | 06/10/16 |
Zr3Fe2Si3 | ICSD | 633671 | Cmcm (63) | ✔ | 16 | 80 | 3 | 0.0 | 0.010 | 0.716 | (1;110) | ✗ | 02/02/17 |
TePb2O5 | COD | 9015570 | C2/c (15) | ✔ | 16 | 128 | 3 | 2.1428 | 2.356 | 0.000 | (0;000) | ✗ | 02/02/17 |
Sc3Fe2Si3 | ICSD | 84204 | Cmcm (63) | ✔ | 16 | 122 | 3 | 0.0 | 0.000 | 0.904 | (1;110) | ✗ | 02/02/17 |
Sr2LiFe2N3 | ICSD | 71059 | C2/c (15) | ✔ | 16 | 108 | 1 | 0.0 | 0.008 | 0.228 | (1;000) | ✗ | 02/02/17 |
NaC4N3 | ICSD | 31926 | P-1 (2) | ✔ | 16 | 80 | 1 | 3.6724 | 3.698 | 0.000 | (0;000) | ✗ | 02/02/17 |
KC4N3 | ICSD | 77046 | P-1 (2) | ✔ | 16 | 80 | 1 | 2.5789 | 2.580 | 0.000 | (0;000) | ✗ | 02/02/17 |
TaSe3 | ICSD | 43213 | P2_1/m (11) | ✔ | 16 | 124 | 3 | 0.0 | 0.042 | 0.158 | (0;011) | ✗ | 02/02/17 |
AuBrF6 | COD | 1510611 | P2_1 (4) | ✗ | 16 | 120 | 1 | 2.0362 | 2.037 | 0.000 | (0;000) | ✗ | 21/03/17 |
Ca3Au | COD | 1510066 | Pnma (62) | ✔ | 16 | 164 | 1 | 0.0 | 0.002 | 0.531 | (0;110) | ✗ | 21/03/17 |
K2FeNi(CN)6 | COD | 1010372 | Fm-3m (225) | ✔ | 16 | 90 | 3 | 0.0 | 0.000 | 0.507 | (0;000) | ✗ | 02/02/17 |
Cs3Ge4Au | COD | 1510108 | Pmmn (59) | ✔ | 16 | 108 | 3 | 0.8002 | 0.890 | 0.000 | (0;000) | ✗ | 21/03/17 |
Cs3Pb4Au | ICSD | 107448 | Pmmn (59) | ✔ | 16 | 188 | 1 | 0.0 | 0.030 | 0.340 | (0;000) | ✗ | 21/03/17 |
Cs3Sn4Au | ICSD | 107446 | Pmmn (59) | ✔ | 16 | 188 | 1 | 0.0 | 0.005 | 0.410 | (0;000) | ✗ | 21/03/17 |
CoAg3(CN)6 | ICSD | 28501 | P-31m (162) | ✔ | 16 | 104 | 3 | 3.2465 | 3.377 | 0.000 | (0;000) | ✗ | 02/02/17 |
Cs2LiMn(CN)6 | ICSD | 68067 | Fm-3m (225) | ✔ | 16 | 90 | 2 | 0.0 | 0.036 | 0.629 | (0;000) | ✗ | 02/02/17 |