▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▴ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
BaNiO3 | COD | 2106603 | P6_3/mmc (194) | ✔ | 10 | 76 | 1 | 1.1864 | 1.283 | 0.000 | (0;000) | ✗ | 05/01/17 |
RhCl3 | ICSD | 25764 | C2/m (12) | ✔ | 8 | 76 | 2 | 1.5711 | 1.663 | 0.000 | (0;000) | ✗ | 27/01/17 |
ZrCuGe | ICSD | 627886 | Pnma (62) | ✔ | 12 | 76 | 3 | 0.0 | 0.001 | 0.475 | (1;011) | ✗ | 27/01/17 |
TiFeO3 | ICSD | 246515 | R3c (161) | ✗ | 10 | 76 | 3 | 0.2475 | 0.296 | 0.000 | (0;000) | ✔ | 06/10/16 |
TiFeO3 | ICSD | 79278 | R3c (161) | ✗ | 10 | 76 | 3 | 0.5011 | 0.525 | 0.000 | (0;000) | ✗ | 06/10/16 |
Zr2Be17 | ICSD | 616514 | R-3m (166) | ✔ | 19 | 76 | 1 | 0.0 | 0.001 | 0.511 | (1;000) | ✗ | 05/01/17 |
InS | ICSD | 15931 | Pnnm (58) | ✔ | 8 | 76 | 3 | 0.6548 | 1.429 | 0.000 | (0;000) | ✗ | 27/01/17 |
IrBr3 | COD | 1527188 | C2/m (12) | ✔ | 8 | 76 | 2 | 1.389 | 1.433 | 0.000 | (0;000) | ✗ | 02/02/17 |
K2As2Pt | ICSD | 610762 | Cmcm (63) | ✔ | 10 | 76 | 1 | 0.2624 | 0.291 | 0.000 | (0;000) | ✗ | 30/01/17 |
K2NiAs2 | ICSD | 300120 | Cmcm (63) | ✔ | 10 | 76 | 1 | 0.1072 | 0.117 | 0.000 | (0;000) | ✗ | 30/01/17 |
CuBiSeO | ICSD | 75128 | P4/nmm (129) | ✔ | 8 | 76 | 3 | 0.0992 | 0.171 | 0.000 | (0;000) | ✗ | 05/01/17 |
CuBiTeO | ICSD | 187824 | P4/nmm (129) | ✔ | 8 | 76 | 3 | 0.0 | 0.011 | 0.156 | (1;001) | ✗ | 05/01/17 |
Ag3As | COD | 9015121 | Pm-3n (223) | ✔ | 8 | 76 | 3 | 0.0 | 0.018 | 0.286 | (1;000) | ✗ | 30/01/17 |
Zr3Ga2 | COD | 1522710 | P4/mbm (127) | ✔ | 10 | 76 | 3 | 0.0 | 0.006 | 0.823 | (0;001) | ✗ | 27/01/17 |
GePb3O5 | ICSD | 200517 | P2 (3) | ✗ | 9 | 76 | 3 | 1.3013 | 1.417 | 0.000 | (0;000) | ✗ | 06/10/16 |
Li2PbO3 | ICSD | 35182 | C2/c (15) | ✔ | 12 | 76 | 3 | 1.2573 | 1.362 | 0.000 | (0;000) | ✗ | 27/01/17 |
Ag3P | COD | 9015865 | Pm-3n (223) | ✔ | 8 | 76 | 3 | 0.0 | 0.001 | 0.278 | (0;000) | ✗ | 30/01/17 |
Li3SbO4 | COD | 2012121 | P2/c (13) | ✔ | 16 | 76 | 1 | 3.4604 | 3.474 | 0.000 | (0;000) | ✗ | 27/01/17 |
Hg2P2S7 | ICSD | 2490 | C2 (5) | ✗ | 11 | 76 | 3 | 1.9144 | 2.191 | 0.000 | (0;000) | ✗ | 06/10/16 |
CsFeBr3 | ICSD | 174041 | P6_3/mmc (194) | ✔ | 10 | 76 | 1 | 0.0 | 0.042 | 0.009 | (0;000) | ✗ | 02/02/17 |
Rb2As2Pt | ICSD | 107529 | Cmcm (63) | ✔ | 10 | 76 | 1 | 0.364 | 0.394 | 0.000 | (0;000) | ✗ | 30/01/17 |
FeH2(CN2)2 | ICSD | 419222 | Pnnm (58) | ✔ | 18 | 76 | 3 | 0.5694 | 0.765 | 0.000 | (0;000) | ✗ | 27/01/17 |
GaS | ICSD | 635254 | P6_3/mmc (194) | ✔ | 8 | 76 | 2 | 1.0343 | 1.618 | 0.000 | (0;000) | ✗ | 27/01/17 |
KCoO2 | COD | 1527585 | P4/nmm (129) | ✔ | 8 | 76 | 1 | 0.0 | 0.022 | 0.485 | (0;001) | ✗ | 27/01/17 |
TlCd(NO2)3 | COD | 1010355 | Pm3 (200) | ✔ | 11 | 76 | 3 | 0.0 | 0.000 | 0.892 | (0;111) | ✗ | 27/01/17 |
NaFeF3 | COD | 4341415 | Cmcm (63) | ✔ | 10 | 76 | 2 | 0.5613 | 0.591 | 0.000 | (0;000) | ✗ | 27/01/17 |
PW | ICSD | 42056 | Pmnb (62) | ✔ | 8 | 76 | 3 | 0.0 | 0.003 | 0.392 | (1;011) | ✗ | 06/10/16 |
IrF3 | COD | 2310601 | R-3c (167) | ✔ | 8 | 76 | 3 | 1.079 | 1.198 | 0.000 | (0;000) | ✗ | 27/01/17 |
TlInS2 | ICSD | 640393 | P-6m2 (187) | ✗ | 8 | 76 | 3 | 0.0 | 0.232 | 0.283 | ? | ✗ | 06/10/16 |
Zr(FeGe)6 | ICSD | 632167 | P6/mmm (191) | ✔ | 13 | 76 | 3 | 0.0 | 0.003 | 0.554 | (1;001) | ✗ | 27/01/17 |
TlInS2 | ICSD | 654688 | P6_3/mmc (194) | ✔ | 8 | 76 | 2 | 0.4358 | 1.181 | 0.000 | (0;000) | ✗ | 27/01/17 |
VS | ICSD | 52212 | Pnma (62) | ✔ | 8 | 76 | 3 | 0.0 | 0.001 | 0.771 | (0;011) | ✗ | 27/01/17 |
Zr(FeGe)6 | COD | 1525979 | P6/mmm (191) | ✔ | 13 | 76 | 3 | 0.0 | 0.001 | 0.951 | (0;000) | ✗ | 27/01/17 |
Ca2FeN2 | ICSD | 72389 | C2/m (12) | ✔ | 10 | 76 | 1 | 0.0 | 0.006 | 0.480 | (0;111) | ✗ | 27/01/17 |
Ca2InN | COD | 1531106 | Cmcm (63) | ✔ | 8 | 76 | 1 | 0.0 | 0.119 | 0.326 | (0;110) | ✗ | 27/01/17 |
Co2Ge | ICSD | 623433 | P6_3/mmc (194) | ✔ | 6 | 76 | 3 | 0.0 | 0.018 | 0.651 | (0;000) | ✗ | 27/01/17 |
MnGaPt | COD | 1523336 | P6_3/mmc (194) | ✔ | 6 | 76 | 3 | 0.0 | 0.001 | 0.576 | (0;000) | ✗ | 27/01/17 |
Ba3LiN | ICSD | 245652 | P6_3/mmc (194) | ✔ | 10 | 76 | 1 | 0.0 | 0.002 | 0.574 | (1;000) | ✗ | 02/02/17 |
GaSe | COD | 9008968 | P6_3/mmc (194) | ✔ | 8 | 76 | 2 | 1.1897 | 1.190 | 0.000 | (0;000) | ✗ | 27/01/17 |
In2Si2O7 | COD | 8101227 | C2/m (12) | ✔ | 11 | 76 | 3 | 3.1038 | 3.104 | 0.000 | (0;000) | ✗ | 27/01/17 |
BaSb2Pd | ICSD | 405111 | Cmcm (63) | ✔ | 8 | 76 | 3 | 0.0 | 0.005 | 0.512 | (1;000) | ✗ | 02/02/17 |
VS | ICSD | 24564 | Pmcn (62) | ✔ | 8 | 76 | 3 | 0.0 | 0.001 | 0.657 | (0;011) | ✗ | 06/10/16 |
TlGaO2 | ICSD | 33579 | R-3m (166) | ✔ | 8 | 76 | 3 | 1.5136 | 1.563 | 0.000 | (0;000) | ✗ | 27/01/17 |
CaPtO3 | COD | 4343862 | Cmcm (63) | ✔ | 10 | 76 | 2 | 1.5286 | 1.604 | 0.000 | (0;000) | ✗ | 27/01/17 |
GaSe | ICSD | 20237 | P6_3/mmc (194) | ✔ | 8 | 76 | 2 | 0.0 | 0.040 | 0.118 | (0;000) | ✗ | 27/01/17 |
IrCl3 | ICSD | 23171 | C2/m (12) | ✔ | 8 | 76 | 2 | 1.6895 | 1.690 | 0.000 | (0;000) | ✗ | 27/01/17 |
ReC | ICSD | 618702 | P6_3/mmc (194) | ✔ | 8 | 76 | 3 | 0.0 | 0.004 | 0.767 | (1;000) | ✗ | 27/01/17 |
NaAg(CN)2 | ICSD | 65697 | C2/c (15) | ✔ | 12 | 76 | 1 | 2.7425 | 2.854 | 0.000 | (0;000) | ✗ | 02/02/17 |
NbTl3Se4 | ICSD | 600249 | I-43m (217) | ✗ | 8 | 76 | 3 | 1.5689 | 1.654 | 0.000 | (0;000) | ✗ | 06/10/16 |
In2Ge2O7 | COD | 1530944 | C2/m (12) | ✔ | 11 | 76 | 3 | 2.3152 | 2.315 | 0.000 | (0;000) | ✗ | 27/01/17 |