▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▴ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
ReSe2 | ICSD | 650094 | P-1 (2) | ✔ | 12 | 108 | 2 | 0.683 | 0.811 | 0.000 | (0;000) | ✗ | 02/02/17 |
ReS2 | ICSD | 75459 | P-1 (2) | ✔ | 12 | 108 | 2 | 1.1111 | 1.111 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ca3Mn2O7 | COD | 1533328 | I4/mmm (139) | ✔ | 12 | 102 | 3 | 0.0 | 0.007 | 0.968 | (0;000) | ✗ | 21/03/17 |
CsC | ICSD | 51533 | P-62m (189) | ✗ | 12 | 78 | 3 | 2.1594 | 2.159 | 0.000 | (0;000) | ✗ | 22/03/17 |
TaSn2 | COD | 1527604 | Fddd (70) | ✔ | 12 | 164 | 3 | 0.0 | 0.011 | 0.650 | (1;111) | ✗ | 02/02/17 |
ReSe2 | ICSD | 650091 | P-6m2 (187) | ✗ | 12 | 108 | 1 | 0.0 | 0.000 | 0.801 | ? | ✗ | 29/03/17 |
SrSiPt | ICSD | 604437 | P2_13 (198) | ✗ | 12 | 96 | 3 | 0.0 | 0.000 | 0.544 | ? | ✗ | 29/03/17 |
AlPS4 | ICSD | 56821 | P4_2mc (105) | ✗ | 12 | 64 | 2 | 0.0 | 0.003 | 0.875 | ? | ✗ | 16/03/17 |
Re2W | ICSD | 650203 | P6_3/mmc (194) | ✔ | 12 | 176 | 3 | 0.0 | 0.007 | 1.000 | (0;000) | ✗ | 02/02/17 |
Li2CaTa2O7 | ICSD | 245841 | I4/mmm (139) | ✔ | 12 | 84 | 2 | 2.3496 | 2.802 | 0.000 | (0;000) | ✗ | 21/03/17 |
LiBH4 | ICSD | 245569 | P6_3mc (186) | ✗ | 12 | 20 | 1 | 7.2544 | 7.254 | 0.000 | (0;000) | ✗ | 15/02/17 |
BaCaCO3 | ICSD | 27421 | P6_3mc (186) | ✗ | 12 | 84 | 1 | 0.0 | 0.030 | 0.029 | (0;000) | ✔ | 22/03/17 |
YCu(WO4)2 | ICSD | 36622 | P1 (1) | ✗ | 12 | 126 | 3 | 1.0866 | 1.304 | 0.000 | (0;000) | ✗ | 11/04/17 |
B4CCl6O | ICSD | 280617 | R3m (160) | ✗ | 12 | 64 | 1 | 4.1136 | 4.192 | 0.000 | (0;000) | ✗ | 22/03/17 |
SbPdS | ICSD | 648757 | P2_13 (198) | ✗ | 12 | 116 | 3 | 0.0 | 0.000 | 0.570 | ? | ✗ | 29/03/17 |
AlCuCl4 | ICSD | 35050 | P-42c (112) | ✗ | 12 | 84 | 3 | 2.5564 | 2.657 | 0.000 | (0;000) | ✗ | 16/03/17 |
GeF2 | COD | 1528938 | P2_12_12_1 (19) | ✗ | 12 | 72 | 1 | 4.0428 | 4.319 | 0.000 | (0;000) | ✗ | 22/03/17 |
SrSnPt | ICSD | 412012 | Pnma (62) | ✔ | 12 | 136 | 3 | 0.0 | 0.061 | 0.369 | (1;000) | ✗ | 02/02/17 |
ScMn2 | ICSD | 643548 | P6_3/mmc (194) | ✔ | 12 | 164 | 3 | 0.0 | 0.000 | 0.708 | (1;000) | ✗ | 29/03/17 |
ZrTl2S3 | COD | 7019865 | P2_1/m (11) | ✔ | 12 | 96 | 3 | 0.6608 | 0.670 | 0.000 | (0;000) | ✗ | 02/02/17 |
CdI2 | ICSD | 42198 | P6_3mc (186) | ✗ | 12 | 104 | 1 | 1.983 | 2.174 | 0.000 | (0;000) | ✗ | 22/03/17 |
AlCuBr4 | COD | 4322712 | P-42c (112) | ✗ | 12 | 84 | 3 | 2.2424 | 2.363 | 0.000 | (0;000) | ✗ | 16/03/17 |
Sb2Pt | COD | 9012348 | Pa3 (205) | ✔ | 12 | 80 | 3 | 0.0 | 0.170 | 0.036 | (0;000) | ✗ | 02/02/17 |
TiAl2 | ICSD | 107009 | I4_1/amd (141) | ✔ | 12 | 72 | 3 | 0.0 | 0.003 | 0.599 | (1;111) | ✗ | 16/03/17 |
Cr2B | ICSD | 418163 | Fddd (70) | ✔ | 12 | 124 | 3 | 0.0 | 0.007 | 0.560 | (1;111) | ✗ | 21/03/17 |
CdI2 | ICSD | 44792 | P3m1 (156) | ✗ | 12 | 104 | 1 | 1.9912 | 2.173 | 0.000 | (0;000) | ✗ | 22/03/17 |
NiWO4 | COD | 2310619 | P2/c (13) | ✔ | 12 | 124 | 3 | 0.0 | 0.037 | 0.108 | (1;000) | ✗ | 11/04/17 |
SrLi2Nb2O7 | ICSD | 88463 | I4/mmm (139) | ✔ | 12 | 84 | 2 | 1.7886 | 2.155 | 0.000 | (0;000) | ✗ | 29/03/17 |
Sc2Pt | COD | 2106085 | Pnma (62) | ✔ | 12 | 128 | 3 | 0.0 | 0.015 | 0.299 | (0;000) | ✗ | 02/02/17 |
SbTeOs | ICSD | 647762 | P2_1/c (14) | ✔ | 12 | 108 | 3 | 0.5002 | 0.830 | 0.000 | (0;000) | ✗ | 02/02/17 |
CdP2 | ICSD | 42732 | Pna2_1 (33) | ✗ | 12 | 88 | 3 | 1.4322 | 1.723 | 0.000 | (0;000) | ✗ | 22/03/17 |
Te2Os | COD | 5910143 | Pa3 (205) | ✔ | 12 | 112 | 3 | 0.724 | 0.875 | 0.000 | (0;000) | ✗ | 02/02/17 |
TiS2 | ICSD | 72042 | Fd-3m (227) | ✔ | 12 | 96 | 3 | 0.0 | 0.006 | 0.081 | (0;000) | ✗ | 02/02/17 |
BaSiPd | ICSD | 616034 | P2_13 (198) | ✗ | 12 | 128 | 3 | 0.0 | 0.000 | 0.481 | ? | ✗ | 21/03/17 |
TlTe3Pt2 | ICSD | 78787 | P-3m1 (164) | ✔ | 12 | 102 | 3 | 0.0 | 0.261 | 0.145 | (0;000) | ✗ | 02/02/17 |
HgWO4 | COD | 2010794 | C2/c (15) | ✔ | 12 | 128 | 3 | 2.3115 | 2.754 | 0.000 | (0;000) | ✗ | 07/08/17 |
Sr3Ru2O7 | COD | 2002466 | I4/mmm (139) | ✔ | 12 | 104 | 2 | 0.0 | 0.001 | 0.964 | (0;000) | ✗ | 29/03/17 |
SiO2 | COD | 9006300 | P1 (1) | ✗ | 12 | 64 | 3 | 2.6958 | 2.696 | 0.000 | (0;000) | ✗ | 15/02/17 |
Cs3TaO8 | ICSD | 30408 | I-42m (121) | ✗ | 12 | 88 | 1 | 1.7678 | 1.807 | 0.000 | (0;000) | ✗ | 22/03/17 |
SiO2 | COD | 9006295 | C2 (5) | ✗ | 12 | 64 | 3 | 5.6133 | 5.613 | 0.000 | (0;000) | ✗ | 15/02/17 |
Sr3Mn2O7 | ICSD | 51217 | I4/mmm (139) | ✔ | 12 | 102 | 2 | 0.0 | 0.010 | 0.985 | (0;111) | ✗ | 29/03/17 |
Cs3Mg2Cl7 | ICSD | 66828 | I4/mmm (139) | ✔ | 12 | 96 | 3 | 4.7144 | 4.868 | 0.000 | (0;000) | ✗ | 22/03/17 |
Li2SnSe3 | COD | 4001782 | Cc (9) | ✗ | 12 | 76 | 1 | 1.4145 | 1.415 | 0.000 | (0;000) | ✗ | 29/03/17 |
Co2Ge | ICSD | 623417 | Pnma (62) | ✔ | 12 | 152 | 3 | 0.0 | 0.006 | 0.260 | (0;000) | ✗ | 22/03/17 |
BiIrSe | ICSD | 616741 | P2_13 (198) | ✗ | 12 | 152 | 3 | 0.4071 | 0.913 | 0.000 | (0;000) | ✔ | 13/04/17 |
SbOsSe | ICSD | 647759 | P2_1/c (14) | ✔ | 12 | 108 | 3 | 0.548 | 0.761 | 0.000 | (0;000) | ✗ | 02/02/17 |
TiCr2 | COD | 1525361 | P6_3/mmc (194) | ✔ | 12 | 160 | 3 | 0.0 | 0.004 | 0.707 | (1;000) | ✗ | 22/03/17 |
TaCr2 | COD | 1527318 | P6_3/mmc (194) | ✔ | 12 | 164 | 3 | 0.0 | 0.004 | 0.659 | (0;000) | ✗ | 22/03/17 |
TlPt2S3 | ICSD | 78784 | P-3m1 (164) | ✔ | 12 | 102 | 2 | 0.7331 | 0.783 | 0.000 | (0;000) | ✗ | 02/02/17 |
NbCr2 | ICSD | 626382 | P6_3/mmc (194) | ✔ | 12 | 164 | 3 | 0.0 | 0.003 | 0.623 | (0;000) | ✗ | 22/03/17 |
NClO | ICSD | 411511 | Pnma (62) | ✔ | 12 | 72 | 1 | 2.1735 | 2.232 | 0.000 | (0;000) | ✗ | 04/08/17 |
Ag2HgSI2 | ICSD | 413300 | Cmc2_1 (36) | ✗ | 12 | 108 | 3 | 1.0911 | 1.122 | 0.000 | (0;000) | ✗ | 16/03/17 |
H3C2N | COD | 1504384 | Cmc2_1 (36) | ✗ | 12 | 32 | 1 | 7.2799 | 7.387 | 0.000 | (0;000) | ✗ | 15/02/17 |
HC2N3 | ICSD | 240778 | Cmc2_1 (36) | ✗ | 12 | 48 | 3 | 4.418 | 4.856 | 0.000 | (0;000) | ✗ | 15/02/17 |
TiSnSb | COD | 1532679 | Fddd (70) | ✔ | 12 | 124 | 3 | 0.0 | 0.001 | 0.667 | (1;111) | ✗ | 02/02/17 |
ScMn2 | ICSD | 643551 | P6_3/mmc (194) | ✔ | 12 | 164 | 3 | 0.0 | 0.001 | 0.747 | (1;000) | ✗ | 29/03/17 |
TlPd2 | ICSD | 649055 | Pnma (62) | ✔ | 12 | 196 | 3 | 0.0 | 0.002 | 0.554 | (0;011) | ✗ | 02/02/17 |
SiO2 | ICSD | 154321 | P2_1 (4) | ✗ | 12 | 64 | 1 | 0.0 | 0.002 | 0.694 | ? | ✗ | 29/03/17 |
ScSi3Ni2 | ICSD | 41771 | I4/mmm (139) | ✔ | 12 | 86 | 3 | 0.0 | 0.009 | 0.936 | (1;000) | ✗ | 29/03/17 |
CaGaH4 | ICSD | 240695 | P2_1 (4) | ✗ | 12 | 54 | 1 | 0.0 | 0.001 | 0.416 | ? | ✗ | 15/02/17 |
RbS | ICSD | 73176 | P-62m (189) | ✗ | 12 | 90 | 1 | 1.0177 | 1.286 | 0.000 | (0;000) | ✗ | 29/03/17 |
TcS2 | ICSD | 81816 | P-1 (2) | ✔ | 12 | 108 | 2 | 0.0 | 0.010 | 1.000 | (1;111) | ✗ | 29/03/17 |
TiP | ICSD | 24148 | P6_3/mcm (193) | ✔ | 12 | 102 | 3 | 0.0 | 0.000 | 0.880 | (0;000) | ✗ | 02/02/17 |
AsPd5 | ICSD | 44042 | C2 (5) | ✗ | 12 | 190 | 3 | 0.0 | 0.004 | 0.719 | ? | ✗ | 15/02/17 |
SiO2 | COD | 9006290 | C222_1 (20) | ✗ | 12 | 64 | 3 | 5.6102 | 5.610 | 0.000 | (0;000) | ✗ | 15/02/17 |
SiO2 | COD | 9006289 | Ima2 (46) | ✗ | 12 | 64 | 3 | 5.7343 | 6.013 | 0.000 | (0;000) | ✗ | 29/03/17 |
SbOsS | ICSD | 647751 | P2_1/c (14) | ✔ | 12 | 108 | 3 | 0.4054 | 0.748 | 0.000 | (0;000) | ✗ | 02/02/17 |
NF2 | COD | 9016398 | Pmna (53) | ✔ | 12 | 76 | 1 | 0.0 | 0.004 | 0.376 | (1;011) | ✗ | 22/03/17 |
Sr3Co2Cl2O5 | ICSD | 90123 | I4/mmm (139) | ✔ | 12 | 108 | 1 | 0.0 | 0.028 | 0.519 | (0;111) | ✗ | 22/03/17 |
TiMn2 | COD | 1523418 | P6_3/mmc (194) | ✔ | 12 | 168 | 3 | 0.0 | 0.003 | 0.823 | (0;000) | ✗ | 29/03/17 |
CsH3O2 | COD | 2012559 | I4_1/amd (141) | ✔ | 12 | 48 | 3 | 4.5945 | 4.737 | 0.000 | (0;000) | ✗ | 22/03/17 |
Sr2H3NO6 | ICSD | 415799 | P-62m (189) | ✗ | 12 | 64 | 1 | 3.355 | 3.611 | 0.000 | (0;000) | ✗ | 15/02/17 |
K3Cu2F7 | COD | 1527503 | I4/mmm (139) | ✔ | 12 | 98 | 2 | 0.0 | 0.057 | 0.657 | (0;000) | ✗ | 22/03/17 |
NaSn5 | ICSD | 408045 | P-42_1m (113) | ✗ | 12 | 158 | 3 | 0.0 | 0.000 | 0.851 | ? | ✗ | 29/03/17 |
Sr3Fe2Cl2O5 | COD | 2002334 | I4/mmm (139) | ✔ | 12 | 90 | 1 | 0.0 | 0.004 | 0.683 | (0;000) | ✗ | 22/03/17 |
SiO2 | COD | 9006299 | Cc (9) | ✗ | 12 | 64 | 3 | 5.6757 | 5.787 | 0.000 | (0;000) | ✗ | 15/02/17 |
SiO2 | COD | 9006296 | C2 (5) | ✗ | 12 | 64 | 3 | 5.3101 | 5.310 | 0.000 | (0;000) | ✗ | 15/02/17 |
YCo3 | COD | 2310314 | R-3m (166) | ✔ | 12 | 186 | 3 | 0.0 | 0.000 | 0.799 | (1;000) | ✗ | 22/03/17 |
RhSe2 | ICSD | 44868 | Pa3 (205) | ✔ | 12 | 116 | 3 | 0.0 | 0.000 | 0.746 | (1;111) | ✗ | 02/02/17 |
SiC | COD | 9010158 | P6_3mc (186) | ✗ | 12 | 48 | 3 | 2.0119 | 3.126 | 0.000 | (0;000) | ✗ | 15/02/17 |
Sb2Rh | ICSD | 43501 | P2_1/c (14) | ✔ | 12 | 108 | 3 | 0.0 | 0.150 | 0.034 | (0;000) | ✗ | 02/02/17 |
MgWO4 | COD | 9013904 | P2/c (13) | ✔ | 12 | 96 | 3 | 0.0 | 0.014 | 1.000 | (0;100) | ✗ | 28/03/17 |
ZrSbPd | COD | 1526315 | Pnma (62) | ✔ | 12 | 108 | 3 | 0.0 | 0.001 | 0.324 | (1;011) | ✗ | 02/02/17 |
Rb3Mn2Cl7 | COD | 1531071 | I4/mmm (139) | ✔ | 12 | 106 | 3 | 0.0 | 0.001 | 0.860 | (0;000) | ✗ | 22/03/17 |
PbWO4 | COD | 9009815 | I4_1/a (88) | ✔ | 12 | 132 | 3 | 3.1278 | 3.239 | 0.000 | (0;000) | ✗ | 07/08/17 |
KSe | ICSD | 73172 | P-62m (189) | ✗ | 12 | 90 | 1 | 0.7078 | 1.190 | 0.000 | (0;000) | ✗ | 29/03/17 |
SiO2 | COD | 9006298 | P1 (1) | ✗ | 12 | 64 | 3 | 5.4069 | 5.407 | 0.000 | (0;000) | ✗ | 15/02/17 |
CO2 | COD | 9015590 | P4_12_12 (92) | ✗ | 12 | 64 | 3 | 5.8337 | 5.985 | 0.000 | (0;000) | ✗ | 15/02/17 |
K3Co2F7 | ICSD | 33524 | I4/mmm (139) | ✔ | 12 | 110 | 2 | 0.0 | 0.011 | 0.959 | (0;000) | ✗ | 22/03/17 |
PH4I | ICSD | 22083 | P4/nmm (129) | ✔ | 12 | 32 | 1 | 3.441 | 3.570 | 0.000 | (0;000) | ✗ | 29/03/17 |
TaSe2 | ICSD | 26249 | P6_3mc (186) | ✗ | 12 | 100 | 1 | 0.0 | 0.046 | 0.847 | ? | ✗ | 29/03/17 |
CuI | ICSD | 30363 | P3m1 (156) | ✗ | 12 | 108 | 1 | 1.4688 | 1.469 | 0.000 | (0;000) | ✗ | 22/03/17 |
PH2F3 | ICSD | 406359 | Cmc2_1 (36) | ✗ | 12 | 56 | 1 | 6.9776 | 6.978 | 0.000 | (0;000) | ✗ | 15/02/17 |
Ta2O | ICSD | 28387 | I-43m (217) | ✗ | 12 | 128 | 3 | 0.0 | 0.000 | 0.890 | ? | ✗ | 15/02/17 |
SbTeRu | ICSD | 650595 | P2_1/c (14) | ✔ | 12 | 108 | 3 | 0.3289 | 0.592 | 0.000 | (0;000) | ✗ | 02/02/17 |
CoSbS | ICSD | 624862 | P2_13 (198) | ✗ | 12 | 112 | 3 | 0.5093 | 0.743 | 0.000 | (0;000) | ✗ | 15/02/17 |
YSnPd | ICSD | 424012 | Pnma (62) | ✔ | 12 | 172 | 3 | 0.0 | 0.002 | 0.722 | (0;011) | ✗ | 29/03/17 |
SnF2 | COD | 1527293 | P2_12_12_1 (19) | ✗ | 12 | 112 | 3 | 2.9033 | 3.278 | 0.000 | (0;000) | ✗ | 22/03/17 |
SnF2 | ICSD | 14195 | P4_12_12 (92) | ✗ | 12 | 112 | 3 | 3.6722 | 3.814 | 0.000 | (0;000) | ✗ | 22/03/17 |
CsLiH4SO5 | ICSD | 200780 | Cm (8) | ✗ | 12 | 52 | 1 | 4.4294 | 4.773 | 0.000 | (0;000) | ✗ | 15/02/17 |