▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▴ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Rb2TeCl6 | COD | 1010232 | Fm-3m (225) | ✔ | 9 | 66 | 2 | 2.5055 | 2.733 | 0.000 | (0;000) | ✗ | 02/02/17 |
NaZn4As3 | COD | 4326072 | R-3m (166) | ✔ | 8 | 72 | 2 | 0.0 | 0.004 | 0.004 | (1;000) | ✗ | 21/03/17 |
HgC2(SeN)2 | ICSD | 85760 | P2_1/c (14) | ✔ | 14 | 84 | 2 | 2.326 | 2.434 | 0.000 | (0;000) | ✗ | 02/02/17 |
K3Mn2Cl7 | ICSD | 36127 | I4/mmm (139) | ✔ | 12 | 106 | 2 | 0.0 | 0.004 | 0.851 | (0;000) | ✗ | 02/02/17 |
LiBiO2 | ICSD | 25385 | P4/nmm (129) | ✔ | 8 | 60 | 2 | 0.6159 | 0.618 | 0.000 | (0;000) | ✗ | 02/02/17 |
CsSr2Nb3O10 | ICSD | 93675 | P4/mmm (123) | ✔ | 16 | 128 | 2 | 1.5644 | 1.938 | 0.000 | (0;000) | ✗ | 02/02/17 |
Li6FeCl8 | ICSD | 73217 | Fm-3m (225) | ✔ | 15 | 82 | 2 | 0.6417 | 0.642 | 0.000 | (0;000) | ✗ | 02/02/17 |
CsTa(PO4)2 | ICSD | 20726 | P-1 (2) | ✔ | 12 | 80 | 2 | 3.5265 | 3.612 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ca2Ni3Ge2 | ICSD | 421074 | Pmma (51) | ✔ | 14 | 116 | 2 | 0.0 | 0.002 | 0.884 | (1;100) | ✗ | 02/02/17 |
RbCa2Ta3O10 | ICSD | 89010 | P4/mmm (123) | ✔ | 16 | 128 | 2 | 2.141 | 2.351 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ca3(GaP2)2 | ICSD | 423781 | C2/c (15) | ✔ | 18 | 152 | 2 | 1.0033 | 1.112 | 0.000 | (0;000) | ✗ | 02/02/17 |
Al2VCl8 | ICSD | 415951 | C2/c (15) | ✔ | 22 | 150 | 2 | 0.0 | 0.000 | 0.192 | (1;011) | ✗ | 07/08/17 |
ZnS | ICSD | 42799 | P3m1 (156) | ✗ | 24 | 216 | 2 | 0.0 | 0.021 | 0.469 | ? | ✗ | 04/08/17 |
Ca5Pt2 | ICSD | 619513 | C2/c (15) | ✔ | 14 | 140 | 2 | 0.0 | 0.007 | 0.336 | (0;000) | ✗ | 02/02/17 |
Rb2Cu2SnS4 | ICSD | 74020 | Ibam (72) | ✔ | 18 | 156 | 2 | 1.1287 | 1.160 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ti(AlBr4)2 | ICSD | 40904 | C2/c (15) | ✔ | 22 | 148 | 2 | 0.0 | 0.009 | 0.262 | (0;000) | ✗ | 07/08/17 |
TlCu3Se2 | ICSD | 68524 | C2/m (12) | ✔ | 12 | 116 | 2 | 0.1018 | 0.214 | 0.000 | (0;000) | ✗ | 02/02/17 |
Sr2CaIrO6 | ICSD | 79451 | P2_1/c (14) | ✔ | 20 | 166 | 2 | 0.0 | 0.000 | 0.770 | (0;010) | ✗ | 02/02/17 |
ZnS | ICSD | 107137 | P3m1 (156) | ✗ | 24 | 216 | 2 | 0.0 | 0.013 | 0.490 | ? | ✗ | 04/08/17 |
BiN9 | COD | 4334925 | P-1 (2) | ✔ | 20 | 120 | 2 | 2.0245 | 2.090 | 0.000 | (0;000) | ✗ | 02/02/17 |
Sb2S3 | ICSD | 85302 | Pmn2_1 (31) | ✗ | 20 | 112 | 2 | 0.0 | 0.034 | 0.132 | ? | ✗ | 04/08/17 |
YI3 | COD | 2206574 | R-3 (148) | ✔ | 8 | 64 | 2 | 2.4264 | 2.773 | 0.000 | (0;000) | ✗ | 02/02/17 |
PtCCl2O | COD | 2102529 | P4_2/m (84) | ✔ | 20 | 136 | 2 | 1.4271 | 1.435 | 0.000 | (0;000) | ✗ | 02/02/17 |
SiP2 | ICSD | 43098 | Pbam (55) | ✔ | 24 | 112 | 2 | 0.7829 | 1.248 | 0.000 | (0;000) | ✗ | 04/08/17 |
TcP3 | ICSD | 35200 | Pnma (62) | ✔ | 16 | 120 | 2 | 0.0 | 0.026 | 1.000 | (1;000) | ✗ | 29/03/17 |
NaZrCuS3 | ICSD | 73887 | Cmcm (63) | ✔ | 12 | 84 | 2 | 0.5112 | 0.542 | 0.000 | (0;000) | ✗ | 02/02/17 |
CuHClO | ICSD | 38384 | P2_1/c (14) | ✔ | 16 | 100 | 2 | 0.0 | 0.014 | 0.317 | (1;000) | ✗ | 02/02/17 |
SnCSNF | ICSD | 2418 | Pnma (62) | ✔ | 20 | 144 | 2 | 2.7795 | 3.124 | 0.000 | (0;000) | ✗ | 02/02/17 |
CuHClO | ICSD | 91088 | P2_1/c (14) | ✔ | 16 | 100 | 2 | 0.0 | 0.030 | 0.337 | (0;001) | ✗ | 02/02/17 |
PtCI2O | ICSD | 68098 | C2/c (15) | ✔ | 20 | 136 | 2 | 1.6393 | 1.719 | 0.000 | (0;000) | ✗ | 02/02/17 |
CuTe2Cl | ICSD | 641 | P2_1/c (14) | ✔ | 16 | 120 | 2 | 0.517 | 0.717 | 0.000 | (0;000) | ✗ | 02/02/17 |
WSe2 | COD | 9012193 | P6_3/mmc (194) | ✔ | 6 | 80 | 2 | 0.8573 | 1.336 | 0.000 | (0;000) | ✗ | 11/04/17 |
TeO2 | COD | 9008125 | Pbca (61) | ✔ | 24 | 144 | 2 | 2.2733 | 2.346 | 0.000 | (0;000) | ✗ | 04/08/17 |
Pb(ClO2)2 | ICSD | 68484 | Ccce (68) | ✔ | 14 | 104 | 2 | 0.953 | 1.704 | 0.000 | (0;000) | ✗ | 02/02/17 |
PtCl2 | ICSD | 28527 | R-3m (166) | ✔ | 18 | 144 | 2 | 0.6796 | 0.680 | 0.000 | (0;000) | ✗ | 02/02/17 |
InPb2I5 | ICSD | 151997 | I4/mcm (140) | ✔ | 16 | 152 | 2 | 1.2846 | 1.323 | 0.000 | (0;000) | ✗ | 02/02/17 |
K3Mn2F7 | ICSD | 33525 | I4/mmm (139) | ✔ | 12 | 106 | 2 | 0.0 | 0.014 | 0.728 | (0;000) | ✗ | 22/03/17 |
TaSe2 | COD | 1521538 | P6_3/mmc (194) | ✔ | 12 | 100 | 2 | 0.0 | 0.013 | 0.869 | (0;000) | ✗ | 02/02/17 |
Pb2ClOF | COD | 9012904 | Cmme (67) | ✔ | 10 | 96 | 2 | 2.3301 | 2.444 | 0.000 | (0;000) | ✗ | 02/02/17 |
ScCl3 | ICSD | 74517 | R-3 (148) | ✔ | 8 | 64 | 2 | 3.482 | 3.639 | 0.000 | (0;000) | ✗ | 02/02/17 |
Rb2CrCl4 | ICSD | 41570 | I4/mmm (139) | ✔ | 7 | 60 | 2 | 0.0 | 0.033 | 0.773 | (0;000) | ✗ | 02/02/17 |
Rb2Cu(BrCl)2 | ICSD | 15147 | Cmce (64) | ✔ | 14 | 114 | 2 | 0.0 | 0.000 | 0.824 | (0;000) | ✗ | 02/02/17 |
Tl2SiSe3 | ICSD | 35042 | P-1 (2) | ✔ | 12 | 96 | 2 | 0.0 | 0.048 | 0.603 | (1;100) | ✗ | 02/02/17 |
KRb2YF6 | ICSD | 73472 | P2_1/c (14) | ✔ | 20 | 160 | 2 | 6.2959 | 6.332 | 0.000 | (0;000) | ✗ | 02/02/17 |
CoSb2Br2O3 | ICSD | 418858 | P-1 (2) | ✔ | 16 | 118 | 2 | 0.0 | 0.018 | 1.000 | (1;110) | ✗ | 02/02/17 |
Nb(SBr)2 | ICSD | 424413 | P-1 (2) | ✔ | 10 | 78 | 2 | 1.4142 | 1.475 | 0.000 | (0;000) | ✗ | 02/02/17 |
Nb(SBr)2 | ICSD | 424414 | C2/m (12) | ✔ | 10 | 78 | 2 | 1.3148 | 1.325 | 0.000 | (0;000) | ✗ | 02/02/17 |
Nb(SeBr)2 | COD | 4030178 | C2/m (12) | ✔ | 10 | 78 | 2 | 0.7817 | 0.861 | 0.000 | (0;000) | ✗ | 02/02/17 |
HfFeCl6 | ICSD | 39817 | P-31c (163) | ✔ | 16 | 124 | 2 | 0.7637 | 0.783 | 0.000 | (0;000) | ✗ | 02/02/17 |
Nb(SeBr)2 | COD | 4031460 | P-1 (2) | ✔ | 10 | 78 | 2 | 0.919 | 0.973 | 0.000 | (0;000) | ✗ | 02/02/17 |