▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▴ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Ca(FeP)2 | COD | 7221157 | I4/mmm (139) | ✔ | 5 | 36 | 2 | 0.0 | 0.003 | 0.585 | (1;000) | ✗ | 27/01/17 |
MgCl2 | ICSD | 51246 | C2cm (40) | ✗ | 6 | 48 | 2 | 0.0 | 0.022 | 0.250 | (1;000) | ✔ | 06/10/16 |
CaFeO2 | COD | 4124115 | P4/mmm (123) | ✔ | 4 | 30 | 2 | 0.0 | 0.009 | 0.726 | (0;000) | ✗ | 27/01/17 |
CaGa2 | ICSD | 58891 | P6_3/mmc (194) | ✔ | 6 | 72 | 2 | 0.0 | 0.018 | 0.221 | (0;000) | ✗ | 27/01/17 |
Rb2MgF4 | ICSD | 69681 | I4/mmm (139) | ✔ | 7 | 56 | 2 | 6.5096 | 6.639 | 0.000 | (0;000) | ✗ | 27/01/17 |
K2ZnF4 | COD | 8103552 | I4/mmm (139) | ✔ | 7 | 58 | 2 | 4.3258 | 5.758 | 0.000 | (0;000) | ✗ | 27/01/17 |
LiMnF4 | ICSD | 62655 | P2_1/c (14) | ✔ | 12 | 92 | 2 | 0.0 | 0.015 | 0.136 | (0;000) | ✗ | 27/01/17 |
ReSe2 | ICSD | 66658 | P-1 (2) | ✔ | 12 | 108 | 2 | 0.6829 | 0.814 | 0.000 | (0;000) | ✗ | 06/10/16 |
ReS2 | ICSD | 650077 | P-1 (2) | ✔ | 12 | 108 | 2 | 0.8083 | 0.813 | 0.000 | (0;000) | ✗ | 06/10/16 |
VF4 | ICSD | 65785 | P2_1/c (14) | ✔ | 10 | 82 | 2 | 0.0 | 0.000 | 0.558 | (0;000) | ✗ | 27/01/17 |
ReTe2 | ICSD | 650162 | P-1 (2) | ✔ | 12 | 108 | 2 | 0.0 | 0.026 | 0.311 | (0;000) | ✗ | 02/02/17 |
PdCl2 | ICSD | 421221 | P2_1/c (14) | ✔ | 6 | 64 | 2 | 0.6974 | 1.132 | 0.000 | (0;000) | ✗ | 27/01/17 |
CaMnGe | ICSD | 66957 | P4/nmm (129) | ✔ | 6 | 58 | 2 | 0.0 | 0.000 | 0.865 | (1;000) | ✗ | 27/01/17 |
CaZnGe | ICSD | 52772 | P6_3/mmc (194) | ✔ | 6 | 52 | 2 | 0.0 | 0.183 | 0.172 | (0;000) | ✗ | 27/01/17 |
CaNiGe | ICSD | 418852 | P4/nmm (129) | ✔ | 6 | 48 | 2 | 0.0 | 0.002 | 0.796 | (0;001) | ✗ | 27/01/17 |
SnF4 | COD | 1528582 | I4/mmm (139) | ✔ | 5 | 42 | 2 | 3.52 | 3.723 | 0.000 | (0;000) | ✗ | 27/01/17 |
SnS2 | ICSD | 43003 | P6_3mc (186) | ✗ | 6 | 52 | 2 | 1.2053 | 1.498 | 0.000 | (0;000) | ✗ | 06/10/16 |
RuF4 | ICSD | 165398 | P2_1/c (14) | ✔ | 10 | 88 | 2 | 0.0 | 0.078 | 0.066 | (0;000) | ✗ | 27/01/17 |
CaHgO2 | ICSD | 80717 | R-3m (166) | ✔ | 4 | 34 | 2 | 2.556 | 2.950 | 0.000 | (0;000) | ✗ | 27/01/17 |
CaSnHg | ICSD | 659596 | P6_3/mmc (194) | ✔ | 6 | 72 | 2 | 0.0 | 0.006 | 0.346 | (1;000) | ✗ | 27/01/17 |
K2PdO2 | ICSD | 6158 | Immm (71) | ✔ | 5 | 48 | 2 | 1.4517 | 1.708 | 0.000 | (0;000) | ✗ | 27/01/17 |
K2ZnO2 | ICSD | 34603 | Ibam (72) | ✔ | 10 | 84 | 2 | 2.1272 | 2.127 | 0.000 | (0;000) | ✗ | 27/01/17 |
K2Sn2O3 | COD | 1527186 | R-3m (166) | ✔ | 7 | 64 | 2 | 0.9774 | 0.977 | 0.000 | (0;000) | ✗ | 27/01/17 |
TiS2 | ICSD | 79803 | C2/m (12) | ✔ | 3 | 24 | 2 | 0.0 | 0.377 | 0.035 | (0;000) | ✔ | 06/10/16 |
K2Ti2O5 | ICSD | 36097 | C2/m (12) | ✔ | 9 | 72 | 2 | 3.3234 | 3.597 | 0.000 | (0;000) | ✗ | 27/01/17 |
SnS | ICSD | 106028 | Pmcn (62) | ✔ | 8 | 80 | 2 | 0.7294 | 0.811 | 0.000 | (0;000) | ✗ | 06/10/16 |
K2NaYF6 | ICSD | 22115 | Fm-3m (225) | ✔ | 10 | 80 | 2 | 6.5571 | 6.557 | 0.000 | (0;000) | ✗ | 27/01/17 |
CaIrO3 | COD | 9010366 | Cmcm (63) | ✔ | 10 | 90 | 2 | 0.0 | 0.000 | 0.401 | (0;000) | ✗ | 27/01/17 |
K2NaTlF6 | ICSD | 22114 | Fm-3m (225) | ✔ | 10 | 82 | 2 | 3.9766 | 3.977 | 0.000 | (0;000) | ✗ | 27/01/17 |
WS2 | ICSD | 202367 | R3m (160) | ✗ | 3 | 26 | 2 | 0.8802 | 1.635 | 0.000 | (0;000) | ✗ | 06/10/16 |
Li3CaMnN3 | ICSD | 408324 | R-3 (148) | ✔ | 16 | 98 | 2 | 0.174 | 0.174 | 0.000 | (0;000) | ✗ | 27/01/17 |
ZrCl2 | ICSD | 20144 | R3m (160) | ✗ | 3 | 26 | 2 | 0.8387 | 1.424 | 0.000 | (0;000) | ✗ | 06/10/16 |
CaMg2N2 | ICSD | 79123 | P-3m1 (164) | ✔ | 5 | 40 | 2 | 2.0892 | 2.089 | 0.000 | (0;000) | ✗ | 27/01/17 |
Ca(MgSb)2 | COD | 7221200 | P-3m1 (164) | ✔ | 5 | 40 | 2 | 0.6319 | 1.298 | 0.000 | (0;000) | ✗ | 27/01/17 |
Ca(MnP)2 | ICSD | 49017 | P-3m1 (164) | ✔ | 5 | 50 | 2 | 0.0 | 0.013 | 0.494 | (1;001) | ✗ | 27/01/17 |
Rb2NaYF6 | ICSD | 25369 | Fm-3m (225) | ✔ | 10 | 80 | 2 | 6.6501 | 6.650 | 0.000 | (0;000) | ✗ | 27/01/17 |
TiS3 | ICSD | 42072 | P2_1/m (11) | ✔ | 8 | 60 | 2 | 0.0 | 0.119 | 0.107 | (0;000) | ✔ | 06/10/16 |
Ca(MnSb)2 | ICSD | 416093 | P-3m1 (164) | ✔ | 5 | 50 | 2 | 0.0 | 0.008 | 0.559 | (1;001) | ✗ | 27/01/17 |
Li2SiO3 | ICSD | 28192 | Ccm2_1 (36) | ✗ | 12 | 56 | 2 | 5.2008 | 5.421 | 0.000 | (0;000) | ✗ | 06/10/16 |
CaMnSi | ICSD | 66955 | P4/nmm (129) | ✔ | 6 | 58 | 2 | 0.0 | 0.000 | 0.863 | (1;000) | ✗ | 27/01/17 |
VS2 | ICSD | 77832 | Ccmm (63) | ✔ | 6 | 50 | 2 | 0.0 | 0.000 | 1.000 | (1;000) | ✗ | 06/10/16 |
Na3Li3N2 | ICSD | 92312 | Pm (6) | ✗ | 8 | 46 | 2 | 0.0971 | 0.370 | 0.000 | (0;000) | ✔ | 06/10/16 |
CaMnSn | ICSD | 66959 | P4/nmm (129) | ✔ | 6 | 78 | 2 | 0.0 | 0.000 | 0.924 | (1;000) | ✗ | 27/01/17 |
KLiO | ICSD | 30964 | Cmce (64) | ✔ | 12 | 72 | 2 | 2.6278 | 2.628 | 0.000 | (0;000) | ✗ | 27/01/17 |
AgP2 | ICSD | 35283 | P2_1/c (14) | ✔ | 12 | 84 | 2 | 0.6204 | 0.634 | 0.000 | (0;000) | ✗ | 06/10/16 |
NaLi5Sn4 | ICSD | 12142 | R3m (160) | ✗ | 10 | 80 | 2 | 0.0 | 0.016 | 0.377 | ? | ✗ | 06/10/16 |
Ca(NiO2)4 | ICSD | 40470 | R-3m (166) | ✔ | 13 | 98 | 2 | 0.0 | 0.000 | 0.800 | (1;111) | ✗ | 27/01/17 |
CaPtO3 | COD | 4343862 | Cmcm (63) | ✔ | 10 | 76 | 2 | 1.5286 | 1.604 | 0.000 | (0;000) | ✗ | 27/01/17 |
KMn(SeO4)2 | ICSD | 80430 | P-1 (2) | ✔ | 12 | 84 | 2 | 0.0 | 0.041 | 0.039 | (0;000) | ✗ | 27/01/17 |
CaRhO3 | ICSD | 164774 | Cmcm (63) | ✔ | 10 | 90 | 2 | 0.0 | 0.000 | 0.709 | (0;000) | ✗ | 27/01/17 |