▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▴ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
RuCl3 | ICSD | 414041 | Cmcm (63) | ✔ | 8 | 74 | 1 | 0.0 | 0.000 | 0.794 | (0;110) | ✔ | 02/02/17 |
Ba2BrN | ICSD | 262056 | R-3m (166) | ✔ | 4 | 32 | 1 | 0.9748 | 0.975 | 0.000 | (0;000) | ✗ | 05/01/17 |
CsNaS | ICSD | 41323 | P4/nmm (129) | ✔ | 6 | 48 | 1 | 2.5959 | 2.748 | 0.000 | (0;000) | ✗ | 27/01/17 |
CsNO3 | COD | 2106533 | Pmmn (59) | ✔ | 10 | 64 | 1 | 3.4434 | 3.443 | 0.000 | (0;000) | ✗ | 27/01/17 |
BF2 | ICSD | 27867 | P2_1/c (14) | ✔ | 12 | 68 | 1 | 5.0014 | 5.057 | 0.000 | (0;000) | ✗ | 06/10/16 |
Ba2CaMoO6 | ICSD | 45317 | Fm-3m (225) | ✔ | 10 | 80 | 1 | 2.1405 | 2.212 | 0.000 | (0;000) | ✗ | 05/01/17 |
SrSi | ICSD | 160106 | Cmcm (63) | ✔ | 4 | 28 | 1 | 0.0 | 0.012 | 0.165 | (0;110) | ✗ | 06/10/16 |
SrSi | ICSD | 160107 | Pmnb (62) | ✔ | 8 | 56 | 1 | 0.0 | 0.008 | 0.102 | (1;000) | ✗ | 06/10/16 |
BaLiP | ICSD | 416890 | P6_3/mmc (194) | ✔ | 6 | 36 | 1 | 0.9216 | 0.963 | 0.000 | (0;000) | ✗ | 05/01/17 |
Ba2NCl | ICSD | 262051 | R-3m (166) | ✔ | 4 | 32 | 1 | 0.9986 | 0.999 | 0.000 | (0;000) | ✗ | 05/01/17 |
Ba2Fe2S2OF2 | ICSD | 249689 | I4/mmm (139) | ✔ | 9 | 68 | 1 | 0.0 | 0.004 | 0.451 | (0;000) | ✗ | 05/01/17 |
Ba2Fe2Se2OF2 | ICSD | 249687 | I4/mmm (139) | ✔ | 9 | 68 | 1 | 0.0 | 0.004 | 0.487 | (0;000) | ✗ | 05/01/17 |
Be5Pd | ICSD | 58729 | F-43m (216) | ✗ | 6 | 30 | 1 | 0.0 | 0.315 | 0.184 | (0;000) | ✔ | 04/10/16 |
Ba2Pd(OF)2 | ICSD | 98141 | I4/mmm (139) | ✔ | 7 | 64 | 1 | 0.0 | 0.409 | 0.492 | (0;000) | ✗ | 05/01/17 |
Ba2ZnF6 | ICSD | 21054 | I4/mmm (139) | ✔ | 9 | 74 | 1 | 4.9269 | 5.772 | 0.000 | (0;000) | ✗ | 05/01/17 |
SrSn | ICSD | 106073 | Cmcm (63) | ✔ | 4 | 48 | 1 | 0.0 | 0.058 | 0.207 | (0;110) | ✗ | 06/10/16 |
BaP3 | ICSD | 23618 | C2/m (12) | ✔ | 8 | 50 | 1 | 0.6198 | 0.781 | 0.000 | (0;000) | ✗ | 05/01/17 |
Ba2HN | COD | 4030485 | R-3m (166) | ✔ | 4 | 26 | 1 | 1.046 | 1.336 | 0.000 | (0;000) | ✗ | 05/01/17 |
Ba2NaReO6 | ICSD | 200876 | Fm-3m (225) | ✔ | 10 | 80 | 1 | 2.1561 | 2.227 | 0.000 | (0;000) | ✗ | 05/01/17 |
Ba2ZnN2 | COD | 1005020 | I4/mmm (139) | ✔ | 5 | 42 | 1 | 0.4276 | 0.537 | 0.000 | (0;000) | ✗ | 05/01/17 |
Ba2SrWO6 | ICSD | 246115 | R-3 (148) | ✔ | 10 | 80 | 1 | 3.0139 | 3.014 | 0.000 | (0;000) | ✗ | 05/01/17 |
Ba2PdO3 | COD | 1000071 | Immm (71) | ✔ | 6 | 56 | 1 | 0.0 | 0.488 | 0.043 | (0;000) | ✗ | 05/01/17 |
CaAg | ICSD | 57352 | Ccmm (63) | ✔ | 4 | 42 | 1 | 0.0 | 0.000 | 0.621 | (0;110) | ✗ | 06/10/16 |
SrZn | ICSD | 54980 | Pmnb (62) | ✔ | 8 | 88 | 1 | 0.0 | 0.008 | 0.518 | (1;000) | ✗ | 06/10/16 |
BaS2 | ICSD | 2004 | C2/c (15) | ✔ | 6 | 44 | 1 | 1.5522 | 1.591 | 0.000 | (0;000) | ✗ | 06/10/16 |
Ba3ZnN2O | ICSD | 55536 | P4/mmm (123) | ✔ | 7 | 58 | 1 | 0.3269 | 0.327 | 0.000 | (0;000) | ✗ | 05/01/17 |
Ba3(PO4)2 | COD | 8103717 | R-3m (166) | ✔ | 13 | 88 | 1 | 5.2617 | 5.291 | 0.000 | (0;000) | ✗ | 05/01/17 |
BaBrF | COD | 9011174 | P4/nmm (129) | ✔ | 6 | 48 | 1 | 4.6989 | 4.699 | 0.000 | (0;000) | ✗ | 05/01/17 |
Ag2S | ICSD | 98452 | P2_1/m (11) | ✔ | 6 | 56 | 1 | 0.0 | 0.020 | 0.267 | (1;001) | ✗ | 06/10/16 |
Ba3PbO | COD | 1525464 | Pm-3m (221) | ✔ | 5 | 50 | 1 | 0.0 | 0.013 | 0.080 | (0;000) | ✗ | 05/01/17 |
H4NF2 | ICSD | 87361 | R-3m (166) | ✔ | 14 | 46 | 1 | 0.0 | 0.011 | 0.428 | (0;000) | ✗ | 27/01/17 |
Ba(BeN)2 | ICSD | 415304 | I4/mcm (140) | ✔ | 10 | 56 | 1 | 1.3639 | 1.449 | 0.000 | (0;000) | ✗ | 05/01/17 |
BaS3 | ICSD | 23637 | P-42_1m (113) | ✗ | 8 | 56 | 1 | 1.3893 | 1.418 | 0.000 | (0;000) | ✗ | 06/10/16 |
BaHBr | COD | 9009158 | P4/nmm (129) | ✔ | 6 | 36 | 1 | 3.4293 | 3.429 | 0.000 | (0;000) | ✗ | 05/01/17 |
K2AgAs | ICSD | 1154 | C222_1 (20) | ✗ | 8 | 68 | 1 | 1.1805 | 1.308 | 0.000 | (0;000) | ✗ | 06/10/16 |
Na2AgAs | ICSD | 49007 | C222_1 (20) | ✗ | 8 | 68 | 1 | 0.6852 | 0.685 | 0.000 | (0;000) | ✗ | 06/10/16 |
BaCl2 | COD | 9009003 | Fm-3m (225) | ✔ | 3 | 24 | 1 | 5.5411 | 5.596 | 0.000 | (0;000) | ✗ | 05/01/17 |
BaCd | ICSD | 615805 | Pm-3m (221) | ✔ | 2 | 22 | 1 | 0.0 | 0.000 | 0.663 | (1;000) | ✗ | 05/01/17 |
K2AgBi | ICSD | 1156 | C222_1 (20) | ✗ | 8 | 68 | 1 | 0.6946 | 0.866 | 0.000 | (0;000) | ✗ | 06/10/16 |
BaClF | COD | 1530187 | P4/nmm (129) | ✔ | 6 | 48 | 1 | 5.4116 | 5.412 | 0.000 | (0;000) | ✗ | 05/01/17 |
BaSe2 | ICSD | 16358 | C2/c (15) | ✔ | 6 | 44 | 1 | 1.009 | 1.076 | 0.000 | (0;000) | ✗ | 06/10/16 |
BaCrF6 | COD | 1525278 | R-3m (166) | ✔ | 8 | 66 | 1 | 0.0 | 0.000 | 0.174 | (0;000) | ✗ | 05/01/17 |
BaCuSeF | ICSD | 75585 | P4/nmm (129) | ✔ | 8 | 68 | 1 | 1.4025 | 1.403 | 0.000 | (0;000) | ✗ | 05/01/17 |
BaLiF3 | ICSD | 45310 | Pm-3m (221) | ✔ | 5 | 34 | 1 | 6.6401 | 6.640 | 0.000 | (0;000) | ✗ | 05/01/17 |
BaF2 | COD | 9009004 | Fm-3m (225) | ✔ | 3 | 24 | 1 | 6.7708 | 6.829 | 0.000 | (0;000) | ✗ | 05/01/17 |
BaCuTeF | ICSD | 245624 | P4/nmm (129) | ✔ | 8 | 68 | 1 | 0.8274 | 0.827 | 0.000 | (0;000) | ✗ | 05/01/17 |
KAgO | ICSD | 25744 | I-4 (82) | ✗ | 12 | 104 | 1 | 1.4553 | 1.701 | 0.000 | (0;000) | ✗ | 06/10/16 |
K2AgSb | ICSD | 1155 | C222_1 (20) | ✗ | 8 | 68 | 1 | 1.1247 | 1.333 | 0.000 | (0;000) | ✗ | 06/10/16 |
BaSe3 | ICSD | 16359 | P-42_1m (113) | ✗ | 8 | 56 | 1 | 0.9646 | 1.065 | 0.000 | (0;000) | ✗ | 06/10/16 |
BaSe2 | COD | 7221479 | C2/c (15) | ✔ | 6 | 44 | 1 | 1.009 | 1.076 | 0.000 | (0;000) | ✗ | 05/01/17 |