▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▴ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Sr(ZnP)2 | ICSD | 30911 | P-3m1 (164) | ✔ | 5 | 44 | 2 | 0.8413 | 0.856 | 0.000 | (0;000) | ✗ | 27/01/17 |
Cu2WS4 | COD | 7117863 | I-42m (121) | ✗ | 7 | 74 | 2 | 1.2294 | 1.826 | 0.000 | (0;000) | ✗ | 11/04/17 |
WI3O | ICSD | 65183 | P4_2/mnm (136) | ✔ | 20 | 220 | 2 | 0.4029 | 0.476 | 0.000 | (0;000) | ✗ | 11/04/17 |
Na4WO5 | ICSD | 85063 | P-1 (2) | ✔ | 20 | 188 | 2 | 0.0 | 0.022 | 0.061 | (0;000) | ✗ | 11/04/17 |
SrZnPb | ICSD | 54319 | P6_3/mmc (194) | ✔ | 6 | 72 | 2 | 0.0 | 0.007 | 0.166 | (1;000) | ✗ | 27/01/17 |
HfIN | ICSD | 190384 | R-3m (166) | ✔ | 6 | 48 | 2 | 0.6678 | 1.802 | 0.000 | (0;000) | ✗ | 29/03/17 |
SrMgF4 | COD | 7218677 | Cmc2_1 (36) | ✗ | 12 | 96 | 2 | 6.891 | 6.986 | 0.000 | (0;000) | ✗ | 15/02/17 |
LiFeSiO4 | ICSD | 186517 | Pc (7) | ✗ | 14 | 78 | 2 | 0.0 | 0.000 | 0.905 | ? | ✗ | 15/02/17 |
TlF | ICSD | 9873 | Pma2 (28) | ✗ | 8 | 80 | 2 | 0.0 | 0.011 | 0.067 | (1;000) | ✔ | 15/02/17 |
SrGeTeO6 | ICSD | 88790 | P312 (149) | ✗ | 9 | 56 | 2 | 3.4878 | 3.771 | 0.000 | (0;000) | ✗ | 15/02/17 |
Cs2TeI6 | ICSD | 38105 | Fm-3m (225) | ✔ | 9 | 66 | 2 | 1.0948 | 1.391 | 0.000 | (0;000) | ✗ | 02/02/17 |
AsS2 | ICSD | 424590 | P2_1 (4) | ✗ | 24 | 136 | 2 | 1.2111 | 1.211 | 0.000 | (0;000) | ✗ | 04/08/17 |
Ca(BH)2 | ICSD | 163473 | Pnma (62) | ✔ | 20 | 72 | 2 | 0.0 | 0.007 | 0.740 | (1;000) | ✗ | 04/08/17 |
CsAgC2 | ICSD | 410873 | P4_2/mmc (131) | ✔ | 8 | 56 | 2 | 2.4888 | 2.489 | 0.000 | (0;000) | ✗ | 02/02/17 |
VPS3 | ICSD | 648076 | C2/m (12) | ✔ | 10 | 72 | 2 | 0.1508 | 0.195 | 0.000 | (0;000) | ✗ | 27/01/17 |
Ba2ZnO3 | COD | 2002534 | C2/c (15) | ✔ | 24 | 200 | 2 | 2.883 | 2.885 | 0.000 | (0;000) | ✗ | 04/08/17 |
ZnPS3 | ICSD | 648084 | C2/m (12) | ✔ | 10 | 70 | 2 | 1.9444 | 2.418 | 0.000 | (0;000) | ✗ | 27/01/17 |
NaTi2HO5 | ICSD | 162109 | P1 (1) | ✗ | 9 | 64 | 2 | 0.0 | 0.029 | 0.322 | (0;000) | ✔ | 15/02/17 |
BaNb6O17 | COD | 9015043 | Immm (71) | ✔ | 24 | 190 | 2 | 0.0 | 0.012 | 0.670 | (1;111) | ✗ | 04/08/17 |
Cs2Li2SiO4 | ICSD | 33809 | P-1 (2) | ✔ | 18 | 104 | 2 | 4.1815 | 4.319 | 0.000 | (0;000) | ✗ | 02/02/17 |
BaMg(CO3)2 | ICSD | 193059 | R-3m (166) | ✔ | 10 | 64 | 2 | 4.141 | 4.238 | 0.000 | (0;000) | ✗ | 02/02/17 |
TcS2 | ICSD | 81816 | P-1 (2) | ✔ | 12 | 108 | 2 | 0.0 | 0.010 | 1.000 | (1;111) | ✗ | 29/03/17 |
TePt | ICSD | 41370 | R-3m (166) | ✔ | 4 | 32 | 2 | 0.0 | 0.073 | 0.748 | (1;111) | ✗ | 27/01/17 |
K3NiO2 | ICSD | 262579 | P4_2/mnm (136) | ✔ | 12 | 98 | 2 | 0.0 | 0.000 | 0.603 | (0;000) | ✗ | 02/02/17 |
RbTl(SO4)2 | ICSD | 21087 | R32 (155) | ✗ | 12 | 82 | 2 | 2.2618 | 2.284 | 0.000 | (0;000) | ✗ | 15/02/17 |
InGaBr4 | ICSD | 69652 | P2/c (13) | ✔ | 24 | 216 | 2 | 3.0369 | 3.128 | 0.000 | (0;000) | ✗ | 04/08/17 |
H3C2O | COD | 2005623 | Fdd2 (43) | ✗ | 24 | 68 | 2 | 4.9086 | 5.077 | 0.000 | (0;000) | ✗ | 04/08/17 |
CoF3 | COD | 1010416 | P321 (150) | ✗ | 12 | 114 | 2 | 0.0 | 0.017 | 0.014 | (0;000) | ✔ | 15/03/17 |
K3ScV2O8 | ICSD | 248844 | P-3m1 (164) | ✔ | 14 | 112 | 2 | 3.1846 | 3.280 | 0.000 | (0;000) | ✗ | 02/02/17 |
ScTlS2 | ICSD | 418474 | P6_3/mmc (194) | ✔ | 8 | 72 | 2 | 0.725 | 1.667 | 0.000 | (0;000) | ✗ | 27/01/17 |
SnS2 | COD | 9009120 | P-3m1 (164) | ✔ | 3 | 26 | 2 | 1.4075 | 1.942 | 0.000 | (0;000) | ✗ | 27/01/17 |
NaSbF4 | ICSD | 24750 | P2_1/c (14) | ✔ | 24 | 168 | 2 | 4.2647 | 4.267 | 0.000 | (0;000) | ✗ | 04/08/17 |
TiS3 | ICSD | 651177 | P2_1/m (11) | ✔ | 8 | 60 | 2 | 0.0 | 0.115 | 0.110 | (0;000) | ✗ | 27/01/17 |
TiS3 | COD | 1520546 | P2_1/m (11) | ✔ | 8 | 60 | 2 | 0.2822 | 0.309 | 0.000 | (0;000) | ✗ | 27/01/17 |
AlICl6 | ICSD | 26510 | P2_1 (4) | ✗ | 16 | 104 | 2 | 2.2808 | 2.316 | 0.000 | (0;000) | ✗ | 16/03/17 |
Sb2Te2Se | COD | 9007591 | R-3m (166) | ✔ | 5 | 28 | 2 | 0.3356 | 0.346 | 0.000 | (1;000) | ✗ | 27/01/17 |
Sr(ZnSb)2 | COD | 7221361 | P-3m1 (164) | ✔ | 5 | 44 | 2 | 0.0 | 0.001 | 0.132 | (0;000) | ✗ | 27/01/17 |
RbCuC2 | ICSD | 412039 | P4_2/mmc (131) | ✔ | 8 | 56 | 2 | 2.067 | 2.067 | 0.000 | (0;000) | ✗ | 02/02/17 |
SbS8Cl3 | ICSD | 35741 | P-1 (2) | ✔ | 24 | 148 | 2 | 2.714 | 2.763 | 0.000 | (0;000) | ✗ | 04/08/17 |
Ge4Te7As2 | ICSD | 68114 | R-3m (166) | ✔ | 13 | 68 | 2 | 0.0 | 0.020 | 0.022 | (1;000) | ✗ | 21/03/17 |
RbCd4As3 | COD | 4326073 | R-3m (166) | ✔ | 8 | 72 | 2 | 0.0 | 0.088 | 0.015 | (0;111) | ✗ | 21/03/17 |
RuS3Cl8 | ICSD | 410112 | P-1 (2) | ✔ | 24 | 180 | 2 | 1.8706 | 1.957 | 0.000 | (0;000) | ✗ | 04/08/17 |
CuClF10 | COD | 1529596 | P2_1/c (14) | ✔ | 24 | 176 | 2 | 0.0 | 0.002 | 0.108 | (0;000) | ✗ | 04/08/17 |
PbCN2 | COD | 2310547 | Pna2_1 (33) | ✗ | 16 | 112 | 2 | 1.6961 | 1.912 | 0.000 | (0;000) | ✗ | 22/03/17 |
TaSe2 | ICSD | 651956 | P6_3/mmc (194) | ✔ | 6 | 50 | 2 | 0.0 | 0.000 | 0.809 | (0;000) | ✗ | 27/01/17 |
TaSe2 | COD | 2310532 | P6_3/mmc (194) | ✔ | 6 | 50 | 2 | 0.0 | 0.000 | 0.841 | (0;001) | ✗ | 27/01/17 |
ZrSe3 | ICSD | 652241 | P2_1/m (11) | ✔ | 8 | 44 | 2 | 0.0 | 0.504 | 0.094 | (0;000) | ✗ | 27/01/17 |
ZrSe3 | ICSD | 652252 | P2_1/m (11) | ✔ | 8 | 44 | 2 | 0.0 | 0.033 | 0.529 | (0;000) | ✗ | 27/01/17 |
K3Co2F7 | ICSD | 33524 | I4/mmm (139) | ✔ | 12 | 110 | 2 | 0.0 | 0.011 | 0.959 | (0;000) | ✗ | 22/03/17 |
LiInF4 | COD | 2000863 | Pbcn (60) | ✔ | 24 | 176 | 2 | 4.4823 | 4.482 | 0.000 | (0;000) | ✗ | 04/08/17 |