▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▴ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
NaCu3Te2 | ICSD | 60860 | R3m (160) | ✗ | 6 | 54 | 1 | 0.0 | 0.052 | 0.021 | (0;111) | ✔ | 06/10/16 |
Na2CrO4 | COD | 1010023 | Cmcm (63) | ✔ | 14 | 112 | 1 | 3.3328 | 3.360 | 0.000 | (0;000) | ✗ | 27/01/17 |
BaMnGe | COD | 9008362 | P4/nmm (129) | ✔ | 6 | 58 | 1 | 0.0 | 0.000 | 0.812 | (0;001) | ✗ | 05/01/17 |
BaLiH3 | ICSD | 416463 | Pm-3m (221) | ✔ | 5 | 16 | 1 | 2.2583 | 2.610 | 0.000 | (0;000) | ✗ | 05/01/17 |
BaNaH3Pd | COD | 6000621 | P6_3/mmc (194) | ✔ | 12 | 80 | 1 | 1.5304 | 1.872 | 0.000 | (0;000) | ✗ | 05/01/17 |
Tl2O | ICSD | 77699 | C2/m (12) | ✔ | 6 | 64 | 1 | 0.402 | 0.482 | 0.000 | (0;000) | ✔ | 06/10/16 |
BaHgO2 | ICSD | 74076 | R-3m (166) | ✔ | 4 | 34 | 1 | 2.5459 | 2.704 | 0.000 | (0;000) | ✗ | 05/01/17 |
Ba | ICSD | 109028 | I4/mcm (140) | ✔ | 4 | 40 | 1 | 0.0 | 0.002 | 0.515 | (0;000) | ✗ | 05/01/17 |
Ba | ICSD | 109031 | P4/mmm (123) | ✔ | 1 | 10 | 1 | 0.0 | 0.004 | 0.524 | (0;000) | ✗ | 05/01/17 |
Sr2CrN3 | COD | 7012865 | P-1 (2) | ✔ | 12 | 98 | 1 | 0.7771 | 0.921 | 0.000 | (0;000) | ✗ | 27/01/17 |
Ba | ICSD | 52679 | Fm-3m (225) | ✔ | 1 | 10 | 1 | 0.0 | 0.077 | 0.167 | (0;000) | ✗ | 02/02/17 |
BaLi2(MgSi)2 | COD | 8101152 | R-3m (166) | ✔ | 7 | 44 | 1 | 0.0 | 0.311 | 0.196 | (0;000) | ✗ | 05/01/17 |
BaLi2Si | COD | 7221325 | Pmmn (59) | ✔ | 8 | 40 | 1 | 0.0 | 0.011 | 0.141 | (0;000) | ✗ | 05/01/17 |
BaLiP | ICSD | 416890 | P6_3/mmc (194) | ✔ | 6 | 36 | 1 | 0.9216 | 0.963 | 0.000 | (0;000) | ✗ | 05/01/17 |
BaLiSb | COD | 2200086 | P6_3/mmc (194) | ✔ | 6 | 36 | 1 | 0.4311 | 0.643 | 0.000 | (0;000) | ✗ | 05/01/17 |
Ba(MgP)2 | ICSD | 30914 | P-3m1 (164) | ✔ | 5 | 40 | 1 | 1.1281 | 1.727 | 0.000 | (0;000) | ✗ | 05/01/17 |
BaMgSi | COD | 9008329 | P4/nmm (129) | ✔ | 6 | 48 | 1 | 0.0 | 0.008 | 0.169 | (1;001) | ✗ | 05/01/17 |
BaMnO3 | COD | 1524992 | P6_3/mmc (194) | ✔ | 10 | 86 | 1 | 0.0 | 0.000 | 0.345 | (0;000) | ✗ | 05/01/17 |
BaN2 | COD | 4327589 | C2/c (15) | ✔ | 6 | 40 | 1 | 0.0 | 0.022 | 0.618 | (0;000) | ✗ | 05/01/17 |
BaZrN2 | ICSD | 74905 | P4/nmm (129) | ✔ | 8 | 48 | 1 | 0.8105 | 0.816 | 0.000 | (0;000) | ✗ | 05/01/17 |
BaSb2 | ICSD | 409517 | P2_1/m (11) | ✔ | 6 | 40 | 1 | 0.0 | 0.056 | 0.102 | (0;001) | ✔ | 04/10/16 |
BaNiO3 | COD | 2106603 | P6_3/mmc (194) | ✔ | 10 | 76 | 1 | 1.1864 | 1.283 | 0.000 | (0;000) | ✗ | 05/01/17 |
BaO2 | COD | 2001842 | I4/mmm (139) | ✔ | 3 | 22 | 1 | 2.1926 | 2.193 | 0.000 | (0;000) | ✗ | 05/01/17 |
BaSeO3 | ICSD | 54156 | P2_1/m (11) | ✔ | 10 | 68 | 1 | 3.9448 | 3.945 | 0.000 | (0;000) | ✗ | 05/01/17 |
BaTeO3 | COD | 1524714 | P2_1/m (11) | ✔ | 10 | 68 | 1 | 2.8465 | 2.873 | 0.000 | (0;000) | ✗ | 05/01/17 |
Ba | COD | 9008528 | Im-3m (229) | ✔ | 1 | 10 | 1 | 0.0 | 0.000 | 0.399 | (0;000) | ✗ | 05/01/17 |
BaO | ICSD | 173921 | P6_3/mmc (194) | ✔ | 4 | 32 | 1 | 2.2677 | 2.285 | 0.000 | (0;000) | ✗ | 05/01/17 |
Cs2LiGaF6 | ICSD | 9004 | P-3m1 (164) | ✔ | 10 | 76 | 1 | 6.3658 | 6.378 | 0.000 | (0;000) | ✗ | 27/01/17 |
NaClO2 | ICSD | 22 | C2/c (15) | ✔ | 8 | 56 | 1 | 2.5433 | 2.543 | 0.000 | (0;000) | ✗ | 27/01/17 |
BaO | COD | 1011362 | Fm-3m (225) | ✔ | 2 | 16 | 1 | 1.8783 | 1.878 | 0.000 | (0;000) | ✗ | 05/01/17 |
SrC2 | ICSD | 91051 | C2/c (15) | ✔ | 6 | 36 | 1 | 2.457 | 2.716 | 0.000 | (0;000) | ✗ | 06/10/16 |
BaPb | ICSD | 616019 | Cmcm (63) | ✔ | 4 | 48 | 1 | 0.0 | 0.089 | 0.120 | (0;110) | ✗ | 05/01/17 |
PNF2 | ICSD | 9684 | Cmc2_1 (36) | ✗ | 8 | 48 | 1 | 6.3002 | 6.301 | 0.000 | (0;000) | ✗ | 06/10/16 |
Sn2IF3 | ICSD | 2419 | C222_1 (20) | ✗ | 12 | 112 | 1 | 2.2326 | 2.389 | 0.000 | (0;000) | ✗ | 06/10/16 |
BaS2 | ICSD | 42134 | C2/c (15) | ✔ | 6 | 44 | 1 | 1.5646 | 1.599 | 0.000 | (0;000) | ✗ | 05/01/17 |
BaSe2 | COD | 7221479 | C2/c (15) | ✔ | 6 | 44 | 1 | 1.009 | 1.076 | 0.000 | (0;000) | ✗ | 05/01/17 |
BaSe | ICSD | 52695 | Pm-3m (221) | ✔ | 2 | 16 | 1 | 0.8463 | 0.846 | 0.000 | (0;000) | ✗ | 05/01/17 |
BaSe | COD | 9008601 | Fm-3m (225) | ✔ | 2 | 16 | 1 | 1.7784 | 1.971 | 0.000 | (0;000) | ✗ | 05/01/17 |
BaSi | COD | 1526652 | Cmcm (63) | ✔ | 4 | 28 | 1 | 0.0 | 0.012 | 0.130 | (0;110) | ✗ | 05/01/17 |
K2HfF6 | ICSD | 47246 | P-62m (189) | ✗ | 9 | 72 | 1 | 5.3771 | 5.412 | 0.000 | (0;000) | ✗ | 06/10/16 |
Cs2KCuF6 | ICSD | 59102 | Fm-3m (225) | ✔ | 10 | 80 | 1 | 0.0 | 0.000 | 0.519 | (0;000) | ✗ | 27/01/17 |
BaS | COD | 9008600 | Fm-3m (225) | ✔ | 2 | 16 | 1 | 2.0979 | 2.188 | 0.000 | (0;000) | ✗ | 05/01/17 |
Cs2MnF5 | ICSD | 69675 | P4/mmm (123) | ✔ | 8 | 68 | 1 | 0.0 | 0.052 | 0.625 | (0;000) | ✗ | 27/01/17 |
Cs2GeF6 | COD | 1010607 | Fm-3m (225) | ✔ | 9 | 64 | 1 | 6.5304 | 6.536 | 0.000 | (0;000) | ✗ | 27/01/17 |
Cs2HfF6 | ICSD | 25600 | P-3m1 (164) | ✔ | 9 | 72 | 1 | 6.6489 | 6.683 | 0.000 | (0;000) | ✗ | 27/01/17 |
BaTe | ICSD | 616162 | Pm-3m (221) | ✔ | 2 | 16 | 1 | 0.4495 | 0.532 | 0.000 | (0;000) | ✗ | 05/01/17 |
Cs2KMnF6 | ICSD | 91037 | Fm-3m (225) | ✔ | 10 | 84 | 1 | 0.0189 | 0.052 | 0.000 | (0;000) | ✗ | 27/01/17 |
Cs2KRhF6 | ICSD | 4056 | Fm-3m (225) | ✔ | 10 | 86 | 1 | 2.0433 | 2.043 | 0.000 | (0;000) | ✗ | 27/01/17 |
Cs2KVF6 | ICSD | 27344 | Fm-3m (225) | ✔ | 10 | 82 | 1 | 0.0 | 0.000 | 0.464 | (0;000) | ✗ | 27/01/17 |
Cs2NaMnF6 | ICSD | 37005 | Fm-3m (225) | ✔ | 10 | 84 | 1 | 0.0133 | 0.050 | 0.000 | (0;000) | ✗ | 27/01/17 |