| ▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▴ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Sr2TiMoO6 | ICSD | 189335 | P-1 (2) | ✔ | 10 | 82 | 3 | 0.0 | 0.048 | 0.745 | (0;000) | ✗ | 27/01/17 |
| Sr2ZnMoO6 | ICSD | 28602 | Fm-3m (225) | ✔ | 10 | 82 | 3 | 1.3459 | 1.555 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Mo | COD | 9008474 | Fm-3m (225) | ✔ | 1 | 14 | 3 | 0.0 | 0.010 | 0.426 | (0;000) | ✗ | 27/01/17 |
| Mo | COD | 9012432 | Im-3m (229) | ✔ | 1 | 14 | 3 | 0.0 | 0.000 | 0.546 | (0;111) | ✗ | 27/01/17 |
| MoP4 | COD | 2106092 | C2/c (15) | ✔ | 10 | 68 | 2 | 0.0 | 0.019 | 0.126 | (1;000) | ✗ | 27/01/17 |
| MoPRu | COD | 1532784 | Pnma (62) | ✔ | 12 | 140 | 3 | 0.0 | 0.000 | 0.713 | (0;011) | ✗ | 27/01/17 |
| MoPt2 | COD | 1522847 | Immm (71) | ✔ | 3 | 34 | 3 | 0.0 | 0.047 | 0.690 | (1;111) | ✗ | 27/01/17 |
| MoPt | ICSD | 644160 | Pmma (51) | ✔ | 4 | 48 | 3 | 0.0 | 0.065 | 0.516 | (0;101) | ✗ | 27/01/17 |
| MoRh3 | COD | 1523677 | P6_3/mmc (194) | ✔ | 8 | 130 | 3 | 0.0 | 0.000 | 0.830 | (0;000) | ✗ | 27/01/17 |
| MoS2 | ICSD | 644259 | P6_3/mmc (194) | ✔ | 6 | 52 | 2 | 0.8813 | 1.652 | 0.000 | (0;000) | ✗ | 27/01/17 |
| MoS2 | COD | 9007660 | P6_3/mmc (194) | ✔ | 6 | 52 | 2 | 0.7111 | 1.549 | 0.000 | (0;000) | ✗ | 27/01/17 |
| MoSe2 | ICSD | 49800 | P6_3/mmc (194) | ✔ | 6 | 52 | 2 | 0.8058 | 1.388 | 0.000 | (0;000) | ✗ | 27/01/17 |
| MoSe2 | ICSD | 644346 | P6_3/mmc (194) | ✔ | 6 | 52 | 2 | 0.8472 | 1.396 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Si2Mo | COD | 1010282 | I4/mmm (139) | ✔ | 3 | 22 | 3 | 0.0 | 0.040 | 0.239 | (1;111) | ✗ | 27/01/17 |
| Te2Mo | COD | 9009147 | P6_3/mmc (194) | ✔ | 6 | 52 | 2 | 0.6746 | 0.974 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Zn6Mo | ICSD | 260686 | Fm-3m (225) | ✔ | 7 | 86 | 3 | 0.0 | 0.000 | 0.535 | (1;000) | ✗ | 27/01/17 |
| Zn7Mo | ICSD | 130003 | Fm-3m (225) | ✔ | 8 | 98 | 3 | 0.0 | 0.056 | 0.627 | (1;000) | ✗ | 27/01/17 |
| NaNbN2 | ICSD | 657407 | R-3m (166) | ✔ | 4 | 32 | 2 | 1.0313 | 1.255 | 0.000 | (0;000) | ✗ | 27/01/17 |
| NaTaN2 | ICSD | 67347 | R-3m (166) | ✔ | 4 | 32 | 2 | 1.3216 | 1.867 | 0.000 | (0;000) | ✗ | 27/01/17 |
| N2O5 | ICSD | 30638 | P6_3/mmc (194) | ✔ | 14 | 80 | 1 | 0.6197 | 0.738 | 0.000 | (0;000) | ✗ | 27/01/17 |
| N2O | COD | 1010059 | Pa3 (205) | ✔ | 12 | 64 | 1 | 3.5955 | 3.773 | 0.000 | (0;000) | ✗ | 27/01/17 |
| N2O5 | ICSD | 30639 | P6_3/mmc (194) | ✔ | 14 | 80 | 1 | 0.0 | 0.003 | 0.404 | (1;000) | ✗ | 27/01/17 |
| N2O | COD | 1010149 | Pn-3m (224) | ✔ | 12 | 64 | 3 | 0.0 | 0.004 | 0.551 | (0;000) | ✗ | 27/01/17 |
| Zr2SeN2 | ICSD | 424266 | P6_3/mmc (194) | ✔ | 10 | 48 | 3 | 0.0 | 1.360 | 0.034 | (0;000) | ✗ | 27/01/17 |
| Sr2ZnN2 | COD | 1005019 | I4/mmm (139) | ✔ | 5 | 42 | 1 | 0.6805 | 0.681 | 0.000 | (0;000) | ✗ | 27/01/17 |
| SrN2 | ICSD | 423722 | I4/mmm (139) | ✔ | 3 | 20 | 1 | 0.0 | 0.005 | 0.580 | (0;000) | ✗ | 27/01/17 |
| SrTiN2 | ICSD | 85770 | P4/nmm (129) | ✔ | 8 | 64 | 2 | 0.7908 | 0.791 | 0.000 | (0;000) | ✗ | 27/01/17 |
| SrZrN2 | ICSD | 82537 | R-3m (166) | ✔ | 4 | 24 | 2 | 0.0 | 0.609 | 0.011 | (0;000) | ✗ | 27/01/17 |
| Zr2SN2 | COD | 4124514 | P6_3/mmc (194) | ✔ | 10 | 48 | 3 | 0.1779 | 1.455 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Na2Pd3O4 | ICSD | 6157 | Immm (71) | ✔ | 9 | 96 | 3 | 0.3622 | 0.366 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Zr2SN2 | COD | 4124522 | P-3m1 (164) | ✔ | 5 | 24 | 3 | 0.6062 | 1.069 | 0.000 | (0;000) | ✗ | 27/01/17 |
| WN2 | ICSD | 30364 | R-3m (166) | ✔ | 3 | 24 | 2 | 0.0 | 0.002 | 0.186 | (1;000) | ✗ | 27/01/17 |
| NaN3 | COD | 1010392 | R-3m (166) | ✔ | 4 | 24 | 1 | 4.3404 | 4.749 | 0.000 | (0;000) | ✗ | 27/01/17 |
| NaN3 | ICSD | 29383 | C2/m (12) | ✔ | 4 | 24 | 1 | 0.0 | 0.008 | 0.483 | (0;110) | ✗ | 27/01/17 |
| RbN3 | ICSD | 34273 | I4/mcm (140) | ✔ | 8 | 48 | 1 | 4.3028 | 4.303 | 0.000 | (0;000) | ✗ | 27/01/17 |
| RbN3 | COD | 1010040 | P4/mmm (123) | ✔ | 4 | 24 | 1 | 0.0 | 0.001 | 0.299 | (1;000) | ✗ | 27/01/17 |
| TlN3 | ICSD | 34271 | I4/mcm (140) | ✔ | 8 | 56 | 1 | 1.3825 | 1.933 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Si3N4 | COD | 1001249 | P6_3/m (176) | ✔ | 14 | 64 | 3 | 3.8214 | 4.349 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Sn3N4 | ICSD | 89525 | Fd-3m (227) | ✔ | 14 | 124 | 3 | 0.5158 | 0.516 | 0.000 | (0;000) | ✗ | 27/01/17 |
| W3N4 | ICSD | 30370 | Pm-3m (221) | ✔ | 7 | 62 | 3 | 0.0 | 0.011 | 0.745 | (1;111) | ✗ | 27/01/17 |
| Na2PtO2 | ICSD | 25018 | Immm (71) | ✔ | 5 | 40 | 1 | 1.5347 | 1.903 | 0.000 | (0;000) | ✗ | 27/01/17 |
| P3N5 | ICSD | 56876 | C2/c (15) | ✔ | 16 | 80 | 3 | 3.7067 | 4.005 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Na2SO3 | COD | 1010523 | P-3 (147) | ✔ | 12 | 84 | 1 | 4.0495 | 4.171 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Na2Zn2O3 | ICSD | 25617 | P2_1/c (14) | ✔ | 14 | 120 | 3 | 1.1217 | 1.122 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Na2SeO4 | COD | 2106359 | Fddd (70) | ✔ | 14 | 96 | 1 | 3.7333 | 3.772 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Na2SO4 | ICSD | 27955 | P-3m1 (164) | ✔ | 14 | 96 | 1 | 0.0 | 0.000 | 0.521 | (1;000) | ✗ | 27/01/17 |
| Na2SO4 | COD | 1010522 | Cmcm (63) | ✔ | 14 | 96 | 1 | 5.0257 | 5.223 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Na2SO4 | COD | 1011184 | Fddd (70) | ✔ | 14 | 96 | 1 | 5.2961 | 5.316 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Na2Pd(SeO4)2 | ICSD | 249506 | P-1 (2) | ✔ | 13 | 96 | 2 | 1.7145 | 1.715 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Na2O | COD | 9009063 | Fm-3m (225) | ✔ | 3 | 24 | 1 | 1.9686 | 1.969 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Na2Ti2Sb2O | ICSD | 91204 | I4/mmm (139) | ✔ | 7 | 58 | 1 | 0.0 | 0.019 | 0.592 | (0;000) | ✗ | 27/01/17 |
| Na2Se | COD | 9009065 | Fm-3m (225) | ✔ | 3 | 24 | 1 | 1.9482 | 1.948 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Na2S | COD | 2106221 | P6_3/mmc (194) | ✔ | 6 | 48 | 1 | 2.4792 | 2.479 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Na2S | COD | 9009064 | Fm-3m (225) | ✔ | 3 | 24 | 1 | 2.4848 | 2.485 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Na2Te | COD | 9009066 | Fm-3m (225) | ✔ | 3 | 24 | 1 | 1.802 | 1.802 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Na3SbO4 | COD | 1525240 | P2/c (13) | ✔ | 16 | 112 | 1 | 2.0196 | 2.020 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Na3P | COD | 2207375 | P6_3/mmc (194) | ✔ | 8 | 64 | 1 | 0.4447 | 0.445 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Na5ReO6 | ICSD | 38382 | C2/m (12) | ✔ | 12 | 96 | 1 | 2.3756 | 2.376 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Na | ICSD | 189460 | Pnma (62) | ✔ | 8 | 72 | 3 | 0.0 | 0.273 | 0.143 | (0;000) | ✗ | 27/01/17 |
| NaNbO2 | ICSD | 73111 | P6_3/mmc (194) | ✔ | 8 | 68 | 2 | 0.3537 | 1.376 | 0.000 | (0;000) | ✗ | 27/01/17 |
| NaNbO3 | COD | 1011064 | Pm-3m (221) | ✔ | 5 | 40 | 3 | 1.7183 | 2.402 | 0.000 | (0;000) | ✗ | 27/01/17 |
| NaNbO3 | COD | 2002944 | P4/mbm (127) | ✔ | 10 | 80 | 3 | 1.6578 | 1.782 | 0.000 | (0;000) | ✗ | 27/01/17 |
| NaNbO3 | COD | 9015979 | R-3 (148) | ✔ | 10 | 80 | 1 | 3.8433 | 3.871 | 0.000 | (0;000) | ✗ | 27/01/17 |
| NaNbS2 | ICSD | 26285 | P6_3/mmc (194) | ✔ | 8 | 68 | 2 | 0.6029 | 1.331 | 0.000 | (0;000) | ✗ | 27/01/17 |
| NaNbSe2 | ICSD | 26287 | P6_3/mmc (194) | ✔ | 8 | 68 | 2 | 0.3899 | 1.123 | 0.000 | (0;000) | ✗ | 27/01/17 |
| NaO2 | ICSD | 26582 | Pa3 (205) | ✔ | 12 | 84 | 1 | 0.0 | 0.000 | 0.289 | (0;111) | ✗ | 27/01/17 |
| NaRhO2 | ICSD | 66280 | R-3m (166) | ✔ | 4 | 38 | 2 | 1.4316 | 1.523 | 0.000 | (0;000) | ✗ | 27/01/17 |
| NaO2 | ICSD | 87181 | Pnnm (58) | ✔ | 6 | 42 | 1 | 0.0 | 0.000 | 0.983 | (0;101) | ✗ | 27/01/17 |
| NaScO2 | ICSD | 25729 | R-3m (166) | ✔ | 4 | 32 | 2 | 3.7686 | 4.439 | 0.000 | (0;000) | ✗ | 27/01/17 |
| NaTlO2 | ICSD | 33630 | R-3m (166) | ✔ | 4 | 34 | 2 | 0.5868 | 0.737 | 0.000 | (0;000) | ✗ | 27/01/17 |
| NaVO2 | ICSD | 420137 | R-3m (166) | ✔ | 4 | 34 | 2 | 0.0 | 0.003 | 0.470 | (0;000) | ✗ | 27/01/17 |
| RbNaTiO3 | ICSD | 78753 | C2/c (15) | ✔ | 12 | 96 | 1 | 3.7013 | 3.738 | 0.000 | (0;000) | ✗ | 27/01/17 |
| NaSbO3 | COD | 9005220 | R-3 (148) | ✔ | 10 | 64 | 1 | 3.1157 | 3.254 | 0.000 | (0;000) | ✗ | 27/01/17 |
| NaTaO3 | ICSD | 28617 | Pm-3m (221) | ✔ | 5 | 40 | 3 | 2.2699 | 2.960 | 0.000 | (0;000) | ✗ | 27/01/17 |
| NaTaO3 | COD | 2002945 | P4/mbm (127) | ✔ | 10 | 80 | 3 | 2.2609 | 2.385 | 0.000 | (0;000) | ✗ | 27/01/17 |
| NaPd3O4 | ICSD | 245608 | Pm-3n (223) | ✔ | 16 | 174 | 3 | 0.0 | 0.000 | 0.909 | (0;000) | ✗ | 27/01/17 |
| NaPt3O4 | ICSD | 32546 | Pm-3n (223) | ✔ | 16 | 126 | 3 | 0.0 | 0.000 | 0.761 | (1;000) | ✗ | 27/01/17 |
| NaReO4 | ICSD | 52337 | I4_1/a (88) | ✔ | 12 | 96 | 1 | 3.8048 | 3.880 | 0.000 | (0;000) | ✗ | 27/01/17 |
| NaSO4 | COD | 2208366 | P-1 (2) | ✔ | 12 | 78 | 1 | 3.9204 | 3.927 | 0.000 | (0;000) | ✗ | 27/01/17 |
| NaV2O4 | COD | 4330682 | C2/c (15) | ✔ | 14 | 118 | 2 | 0.0 | 0.000 | 0.511 | (0;101) | ✗ | 27/01/17 |
| NaV2O5 | COD | 1525676 | Pmmn (59) | ✔ | 16 | 130 | 2 | 0.0 | 0.000 | 0.992 | (1;010) | ✗ | 27/01/17 |
| NaV(SO4)2 | ICSD | 71760 | C2/m (12) | ✔ | 12 | 82 | 2 | 0.0 | 0.024 | 0.674 | (0;000) | ✗ | 27/01/17 |
| Na | COD | 9008507 | P6_3/mmc (194) | ✔ | 2 | 18 | 1 | 0.0 | 0.000 | 0.720 | (0;000) | ✗ | 27/01/17 |
| RbNaO | ICSD | 61092 | P4/nmm (129) | ✔ | 6 | 48 | 1 | 2.2509 | 2.368 | 0.000 | (0;000) | ✗ | 27/01/17 |
| NaPt2 | COD | 2020042 | Fd-3m (227) | ✔ | 6 | 58 | 3 | 0.0 | 0.000 | 0.684 | (0;000) | ✗ | 27/01/17 |
| NaZnP | ICSD | 61083 | P4/nmm (129) | ✔ | 6 | 52 | 1 | 0.8574 | 0.857 | 0.000 | (0;000) | ✗ | 27/01/17 |
| RbNaS | COD | 9007814 | P4/nmm (129) | ✔ | 6 | 48 | 1 | 2.3693 | 2.442 | 0.000 | (0;000) | ✗ | 27/01/17 |
| NaSbS2 | COD | 1530128 | P-1 (2) | ✔ | 8 | 52 | 1 | 0.898 | 0.898 | 0.000 | (0;000) | ✗ | 27/01/17 |
| NaScS2 | ICSD | 644971 | R-3m (166) | ✔ | 4 | 32 | 2 | 1.6051 | 2.392 | 0.000 | (0;000) | ✗ | 27/01/17 |
| NaVS2 | ICSD | 76541 | R-3m (166) | ✔ | 4 | 34 | 2 | 0.0 | 0.003 | 0.331 | (0;000) | ✗ | 27/01/17 |
| NaYS2 | COD | 2019542 | R-3m (166) | ✔ | 4 | 32 | 2 | 2.241 | 3.060 | 0.000 | (0;000) | ✗ | 27/01/17 |
| NaZnSb | COD | 7221369 | P4/nmm (129) | ✔ | 6 | 52 | 1 | 0.0 | 0.025 | 0.097 | (0;000) | ✗ | 27/01/17 |
| NaVSe2 | ICSD | 77597 | R-3m (166) | ✔ | 4 | 34 | 2 | 0.0 | 0.001 | 0.319 | (0;000) | ✗ | 27/01/17 |
| NaYSe2 | ICSD | 645037 | R-3m (166) | ✔ | 4 | 32 | 2 | 2.0793 | 2.766 | 0.000 | (0;000) | ✗ | 27/01/17 |
| NaS | ICSD | 73173 | P6_3/mmc (194) | ✔ | 8 | 60 | 1 | 1.2269 | 1.227 | 0.000 | (0;000) | ✗ | 27/01/17 |
| NaTl | COD | 1522845 | Fd-3m (227) | ✔ | 4 | 44 | 3 | 0.0 | 0.228 | 0.278 | (0;000) | ✗ | 27/01/17 |
| Nb2O5 | COD | 1528678 | C2/c (15) | ✔ | 14 | 112 | 3 | 2.7685 | 2.894 | 0.000 | (0;000) | ✗ | 27/01/17 |
| NbS | ICSD | 44992 | P6_3/mmc (194) | ✔ | 4 | 38 | 3 | 0.0 | 0.000 | 0.878 | (0;000) | ✗ | 27/01/17 |
| Nb2PdS6 | ICSD | 600718 | C2/m (12) | ✔ | 9 | 80 | 3 | 0.0 | 0.031 | 0.279 | (1;000) | ✗ | 27/01/17 |
| Nb2PdSe6 | ICSD | 600719 | C2/m (12) | ✔ | 9 | 80 | 3 | 0.0 | 0.024 | 0.334 | (1;001) | ✗ | 27/01/17 |