Plotting...
| ▹ 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 |
| Cs2NaScF6 | ICSD | 55694 | Fm-3m (225) | ✔ | 10 | 80 | 1 | 6.8514 | 6.862 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Cs2NaTlF6 | ICSD | 22118 | Fm-3m (225) | ✔ | 10 | 82 | 1 | 4.2365 | 4.237 | 0.000 | (0;000) | ✗ | 27/01/17 |
| BaTe | COD | 9008602 | Fm-3m (225) | ✔ | 2 | 16 | 1 | 1.2448 | 1.616 | 0.000 | (0;000) | ✗ | 05/01/17 |
| Cs2NiF6 | ICSD | 44789 | Fm-3m (225) | ✔ | 9 | 70 | 1 | 1.9892 | 2.072 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Cs2PdF6 | ICSD | 28674 | Fm-3m (225) | ✔ | 9 | 78 | 1 | 2.4653 | 2.524 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Cs2PtF6 | ICSD | 35107 | P-3m1 (164) | ✔ | 9 | 70 | 1 | 2.6133 | 2.633 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Cs2PtF6 | ICSD | 78955 | Fm-3m (225) | ✔ | 9 | 70 | 1 | 2.7742 | 2.796 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Cs2SiF6 | COD | 1010285 | Fm-3m (225) | ✔ | 9 | 64 | 1 | 6.2138 | 6.244 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Cs2SnF6 | ICSD | 281 | P-3m1 (164) | ✔ | 9 | 74 | 1 | 6.1011 | 6.101 | 0.000 | (0;000) | ✗ | 27/01/17 |
| C3N4 | ICSD | 248430 | P-6 (174) | ✗ | 7 | 32 | 1 | 0.0 | 0.001 | 0.871 | (0;000) | ✔ | 06/10/16 |
| Cs2ZrF6 | ICSD | 25598 | P-3m1 (164) | ✔ | 9 | 64 | 1 | 5.9073 | 5.910 | 0.000 | (0;000) | ✗ | 27/01/17 |
| PdI2 | ICSD | 23169 | Pnnm (58) | ✔ | 6 | 64 | 1 | 0.6718 | 0.969 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Cs2NiO2 | ICSD | 423923 | I4/mmm (139) | ✔ | 5 | 40 | 1 | 0.0 | 0.030 | 0.744 | (0;000) | ✗ | 27/01/17 |
| CS2 | COD | 1527106 | Cmce (64) | ✔ | 6 | 32 | 1 | 0.3787 | 0.877 | 0.000 | (0;000) | ✗ | 27/01/17 |
| NaFeS2 | ICSD | 37026 | I222 (23) | ✗ | 8 | 58 | 1 | 0.0 | 0.010 | 0.239 | (0;000) | ✔ | 06/10/16 |
| BaZn | ICSD | 616171 | Pm-3m (221) | ✔ | 2 | 22 | 1 | 0.0 | 0.000 | 0.663 | (1;000) | ✗ | 05/01/17 |
| BaNaBO3 | COD | 2003991 | C2/m (12) | ✔ | 12 | 80 | 1 | 3.8607 | 3.861 | 0.000 | (0;000) | ✗ | 05/01/17 |
| Cs3Sb | ICSD | 53243 | Fm-3m (225) | ✔ | 4 | 32 | 1 | 0.8638 | 0.999 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Be2BO3F | ICSD | 56847 | C2/c (15) | ✔ | 14 | 72 | 1 | 6.1761 | 6.176 | 0.000 | (0;000) | ✗ | 05/01/17 |
| Be4B | COD | 1511458 | P4/nmm (129) | ✔ | 10 | 38 | 1 | 0.0 | 0.000 | 0.827 | (0;001) | ✗ | 05/01/17 |
| Sr2BBrN2 | ICSD | 261795 | R-3m (166) | ✔ | 6 | 40 | 1 | 2.4699 | 2.958 | 0.000 | (0;000) | ✗ | 05/01/17 |
| Ca3BN3 | COD | 1511018 | P4/mmm (123) | ✔ | 7 | 48 | 1 | 0.4803 | 0.491 | 0.000 | (0;000) | ✗ | 05/01/17 |
| K2S | ICSD | 412535 | Cmcm (63) | ✔ | 6 | 48 | 1 | 2.7895 | 2.790 | 0.000 | (0;000) | ✗ | 27/01/17 |
| PI2 | ICSD | 203216 | P-1 (2) | ✔ | 6 | 38 | 1 | 1.5597 | 1.560 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Fe(Si2O3)2 | ICSD | 34181 | P1 (1) | ✗ | 11 | 60 | 1 | 0.0 | 0.022 | 0.092 | (0;000) | ✔ | 06/10/16 |
| Be12Cr | ICSD | 150599 | I4/mmm (139) | ✔ | 13 | 62 | 1 | 0.0 | 0.010 | 0.513 | (1;111) | ✗ | 05/01/17 |
| Be12Fe | ICSD | 616264 | I4/mmm (139) | ✔ | 13 | 56 | 1 | 0.0 | 0.002 | 0.723 | (1;111) | ✗ | 05/01/17 |
| Be12Mo | ICSD | 616334 | I4/mmm (139) | ✔ | 13 | 62 | 1 | 0.0 | 0.009 | 0.485 | (1;000) | ✗ | 05/01/17 |
| CsNiF3 | ICSD | 410394 | P6_3/mmc (194) | ✔ | 10 | 80 | 1 | 0.0 | 0.001 | 0.900 | (0;000) | ✗ | 27/01/17 |
| Be12Pd | ICSD | 109314 | I4/mmm (139) | ✔ | 13 | 66 | 1 | 0.0 | 0.002 | 0.476 | (1;000) | ✗ | 05/01/17 |
| Be12Pt | ICSD | 109315 | I4/mmm (139) | ✔ | 13 | 58 | 1 | 0.0 | 0.029 | 0.440 | (1;000) | ✗ | 05/01/17 |
| CsSrF3 | ICSD | 49578 | Pm-3m (221) | ✔ | 5 | 40 | 1 | 6.5311 | 6.531 | 0.000 | (0;000) | ✗ | 27/01/17 |
| CsNbF6 | ICSD | 412444 | R-3 (148) | ✔ | 8 | 64 | 1 | 5.9823 | 6.038 | 0.000 | (0;000) | ✗ | 27/01/17 |
| CsReF6 | COD | 1530107 | R-3 (148) | ✔ | 8 | 66 | 1 | 0.0 | 0.001 | 0.032 | (0;000) | ✗ | 27/01/17 |
| CsSbF6 | COD | 1529843 | R-3 (148) | ✔ | 8 | 56 | 1 | 5.7879 | 5.788 | 0.000 | (0;000) | ✗ | 27/01/17 |
| TiBe12 | ICSD | 58745 | P6/mmm (191) | ✔ | 13 | 60 | 1 | 0.0 | 0.000 | 0.624 | (0;000) | ✗ | 05/01/17 |
| CsF | COD | 9008621 | Fm-3m (225) | ✔ | 2 | 16 | 1 | 5.4775 | 5.478 | 0.000 | (0;000) | ✗ | 27/01/17 |
| NbI5 | ICSD | 10457 | P-1 (2) | ✔ | 12 | 96 | 1 | 0.0 | 0.048 | 0.113 | (0;111) | ✗ | 06/10/16 |
| CsH | COD | 9008622 | Fm-3m (225) | ✔ | 2 | 10 | 1 | 2.2162 | 2.216 | 0.000 | (0;000) | ✗ | 27/01/17 |
| TiBe12 | ICSD | 616454 | I4/mmm (139) | ✔ | 13 | 60 | 1 | 0.0 | 0.002 | 0.588 | (1;111) | ✗ | 05/01/17 |
| Be12W | ICSD | 109316 | I4/mmm (139) | ✔ | 13 | 62 | 1 | 0.0 | 0.036 | 0.476 | (1;000) | ✗ | 05/01/17 |
| CsK2Sb | ICSD | 53237 | Fm-3m (225) | ✔ | 4 | 32 | 1 | 0.9783 | 0.978 | 0.000 | (0;000) | ✗ | 27/01/17 |
| CsMnP | COD | 1521905 | P4/nmm (129) | ✔ | 6 | 58 | 1 | 0.0 | 0.000 | 0.806 | (1;001) | ✗ | 27/01/17 |
| Hf2Be17 | ICSD | 616280 | R-3m (166) | ✔ | 19 | 92 | 1 | 0.0 | 0.008 | 0.511 | (1;000) | ✗ | 05/01/17 |
| CsN3 | ICSD | 25008 | I4/mcm (140) | ✔ | 8 | 48 | 1 | 4.2572 | 4.296 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Be17Nb2 | ICSD | 58724 | R-3m (166) | ✔ | 19 | 94 | 1 | 0.0 | 0.033 | 0.637 | (1;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 |
| CsSbO2 | COD | 2007633 | C2/c (15) | ✔ | 8 | 52 | 1 | 2.476 | 2.493 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Li2In | ICSD | 51961 | Cmcm (63) | ✔ | 6 | 38 | 1 | 0.0 | 0.000 | 0.804 | (1;110) | ✗ | 27/01/17 |