▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▴ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
ZrS3 | ICSD | 42073 | P2_1/m (11) | ✔ | 8 | 44 | 2 | 0.9911 | 1.042 | 0.000 | (0;000) | ✗ | 27/01/17 |
Sb2Te3 | ICSD | 2084 | R-3m (166) | ✔ | 5 | 28 | 2 | 0.1121 | 0.227 | 0.000 | (1;000) | ✗ | 06/10/16 |
V2Pb(OF4)2 | ICSD | 424541 | P-1 (2) | ✔ | 13 | 108 | 2 | 3.0226 | 3.122 | 0.000 | (0;000) | ✗ | 27/01/17 |
Tl2SiF6 | ICSD | 52292 | Fm-3m (225) | ✔ | 9 | 72 | 2 | 1.2547 | 1.589 | 0.000 | (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 |
SnSe | ICSD | 100673 | Ccmm (63) | ✔ | 4 | 40 | 2 | 0.2641 | 0.265 | 0.000 | (0;000) | ✗ | 06/10/16 |
KNbS2 | ICSD | 26286 | P6_3/mmc (194) | ✔ | 8 | 68 | 2 | 0.8125 | 1.390 | 0.000 | (0;000) | ✗ | 27/01/17 |
KNbSe2 | ICSD | 26288 | P6_3/mmc (194) | ✔ | 8 | 68 | 2 | 0.5237 | 1.181 | 0.000 | (0;000) | ✗ | 27/01/17 |
Ca(SbO3)2 | COD | 2009656 | P-31m (162) | ✔ | 9 | 56 | 2 | 3.3652 | 3.658 | 0.000 | (0;000) | ✗ | 27/01/17 |
KScO2 | ICSD | 34958 | R-3m (166) | ✔ | 4 | 32 | 2 | 3.7269 | 4.188 | 0.000 | (0;000) | ✗ | 27/01/17 |
KTlO2 | ICSD | 33553 | R-3m (166) | ✔ | 4 | 34 | 2 | 0.9793 | 1.140 | 0.000 | (0;000) | ✗ | 27/01/17 |
KYO2 | ICSD | 49650 | R-3m (166) | ✔ | 4 | 32 | 2 | 3.4027 | 3.622 | 0.000 | (0;000) | ✗ | 27/01/17 |
SnSe | ICSD | 16997 | Pmcn (62) | ✔ | 8 | 80 | 2 | 0.4969 | 0.652 | 0.000 | (0;000) | ✗ | 06/10/16 |
Ca(PPd)2 | ICSD | 36371 | I4/mmm (139) | ✔ | 5 | 56 | 2 | 0.0 | 0.056 | 0.804 | (1;000) | ✗ | 27/01/17 |
Ca(PRh)2 | ICSD | 50185 | I4/mmm (139) | ✔ | 5 | 54 | 2 | 0.0 | 0.053 | 0.174 | (0;111) | ✗ | 27/01/17 |
Ca(PRu)2 | ICSD | 602125 | I4/mmm (139) | ✔ | 5 | 52 | 2 | 0.0 | 0.042 | 0.567 | (1;111) | ✗ | 27/01/17 |
KSb(PO4)2 | ICSD | 61788 | R-3 (148) | ✔ | 12 | 72 | 2 | 3.588 | 3.747 | 0.000 | (0;000) | ✗ | 27/01/17 |
KV(SO4)2 | ICSD | 59175 | R-3 (148) | ✔ | 12 | 82 | 2 | 0.0 | 0.021 | 0.042 | (0;000) | ✗ | 27/01/17 |
ZrSe3 | ICSD | 25621 | P2_1/m (11) | ✔ | 8 | 60 | 2 | 0.3234 | 0.610 | 0.000 | (0;000) | ✔ | 06/10/16 |
Ca(ZnP)2 | COD | 7221217 | P-3m1 (164) | ✔ | 5 | 44 | 2 | 0.8628 | 0.990 | 0.000 | (0;000) | ✗ | 27/01/17 |
KZn4P3 | COD | 4326070 | R-3m (166) | ✔ | 8 | 72 | 2 | 0.4584 | 0.500 | 0.000 | (0;000) | ✗ | 27/01/17 |
CaPb | ICSD | 58918 | P4/mmm (123) | ✔ | 2 | 24 | 2 | 0.0 | 0.011 | 0.457 | (1;000) | ✗ | 27/01/17 |
KZnP | COD | 7221374 | P6_3/mmc (194) | ✔ | 6 | 52 | 2 | 0.9058 | 0.906 | 0.000 | (0;000) | ✗ | 27/01/17 |
KScS2 | COD | 2020007 | R-3m (166) | ✔ | 4 | 32 | 2 | 1.7182 | 2.440 | 0.000 | (0;000) | ✗ | 27/01/17 |
KYS2 | COD | 2105803 | R-3m (166) | ✔ | 4 | 32 | 2 | 2.2739 | 2.974 | 0.000 | (0;000) | ✗ | 27/01/17 |
KZnSb | COD | 7221375 | P6_3/mmc (194) | ✔ | 6 | 52 | 2 | 0.3531 | 0.353 | 0.000 | (0;000) | ✗ | 27/01/17 |
CaZnPb | ICSD | 659603 | P6_3/mmc (194) | ✔ | 6 | 72 | 2 | 0.0 | 0.045 | 0.343 | (1;000) | ✗ | 27/01/17 |
SnSe | ICSD | 186650 | Pmnb (62) | ✔ | 8 | 80 | 2 | 0.4992 | 0.652 | 0.000 | (0;000) | ✗ | 06/10/16 |
Li2MnO3 | COD | 1514066 | C2/m (12) | ✔ | 12 | 78 | 2 | 0.053 | 0.078 | 0.000 | (0;000) | ✗ | 27/01/17 |
MoSeS | ICSD | 191307 | P-6m2 (187) | ✗ | 6 | 52 | 2 | 0.0 | 0.046 | 0.697 | (0;000) | ✔ | 06/10/16 |
CaPd2 | ICSD | 30835 | I4/mmm (139) | ✔ | 3 | 46 | 2 | 0.0 | 0.017 | 0.582 | (1;111) | ✗ | 27/01/17 |
Li2NiO2 | ICSD | 73874 | P-3m1 (164) | ✔ | 5 | 28 | 2 | 0.0 | 0.016 | 0.600 | (0;000) | ✗ | 27/01/17 |
Li2NiO3 | ICSD | 153094 | C2/m (12) | ✔ | 12 | 68 | 2 | 0.9465 | 1.169 | 0.000 | (0;000) | ✗ | 27/01/17 |
SnSe | ICSD | 50558 | P2_1/m (11) | ✔ | 4 | 40 | 2 | 0.3171 | 0.317 | 0.000 | (0;000) | ✗ | 06/10/16 |
NaLi2N | COD | 1526563 | Cmmm (65) | ✔ | 4 | 20 | 2 | 0.0 | 0.008 | 0.571 | (1;110) | ✗ | 27/01/17 |
SnSe | ICSD | 52423 | Cmcm (63) | ✔ | 4 | 40 | 2 | 0.3199 | 0.320 | 0.000 | (0;000) | ✗ | 06/10/16 |
Li2PdO2 | ICSD | 61199 | Immm (71) | ✔ | 5 | 36 | 2 | 0.0 | 0.039 | 0.380 | (0;000) | ✗ | 27/01/17 |
SnSe | ICSD | 71338 | P4/nmm (129) | ✔ | 4 | 40 | 2 | 1.0615 | 1.067 | 0.000 | (0;000) | ✗ | 06/10/16 |
Ga2Fe2S5 | ICSD | 631804 | P-3m1 (164) | ✔ | 9 | 72 | 2 | 0.0 | 0.022 | 0.324 | (0;000) | ✗ | 27/01/17 |
Ca(ZnSb)2 | COD | 7221359 | P-3m1 (164) | ✔ | 5 | 44 | 2 | 0.0 | 0.025 | 0.103 | (0;000) | ✗ | 27/01/17 |
CaSi2 | ICSD | 154433 | P6/mmm (191) | ✔ | 3 | 18 | 2 | 0.0 | 0.002 | 0.363 | (1;001) | ✗ | 27/01/17 |
Li2VSiO5 | COD | 2006996 | P4/nmm (129) | ✔ | 18 | 106 | 2 | 0.0 | 0.000 | 0.927 | (0;001) | ✗ | 27/01/17 |
CaSi2 | ICSD | 15632 | R-3m (166) | ✔ | 3 | 18 | 2 | 0.0 | 0.054 | 0.217 | (1;111) | ✗ | 27/01/17 |
CaZnSi | ICSD | 52791 | P6_3/mmc (194) | ✔ | 6 | 52 | 2 | 0.0 | 0.382 | 0.187 | (0;000) | ✗ | 27/01/17 |
AuCClO | ICSD | 33526 | Cmcm (63) | ✔ | 8 | 56 | 2 | 2.4939 | 2.899 | 0.000 | (0;000) | ✗ | 27/01/17 |
Sr(CdP)2 | ICSD | 30912 | P-3m1 (164) | ✔ | 5 | 44 | 2 | 0.7783 | 0.778 | 0.000 | (0;000) | ✗ | 27/01/17 |
Fe3S4 | COD | 9000077 | R-3m (166) | ✔ | 7 | 48 | 2 | 0.0 | 0.016 | 0.515 | (0;000) | ✗ | 27/01/17 |
CaCO3 | COD | 9000969 | R-3c (167) | ✔ | 10 | 64 | 2 | 5.1595 | 5.398 | 0.000 | (0;000) | ✗ | 27/01/17 |
Li2S | COD | 1526194 | Pnma (62) | ✔ | 12 | 48 | 2 | 3.8559 | 4.113 | 0.000 | (0;000) | ✗ | 27/01/17 |
PbCClO2 | ICSD | 99805 | C2/m (12) | ✔ | 10 | 74 | 2 | 2.7433 | 2.837 | 0.000 | (0;000) | ✗ | 27/01/17 |