| ▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▴ ν | wcc | ▹ updated |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 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 |
| BAs | ICSD | 181292 | F-43m (216) | ✗ | 2 | 8 | 3 | 1.0744 | 3.121 | 0.000 | (0;000) | ✗ | 06/10/16 |
| 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 |
| Zr3AlN | ICSD | 29521 | Cmcm (63) | ✔ | 10 | 40 | 3 | 0.0 | 0.000 | 0.916 | (0;000) | ✗ | 05/01/17 |
| NaRhO2 | ICSD | 66280 | R-3m (166) | ✔ | 4 | 38 | 2 | 1.4316 | 1.523 | 0.000 | (0;000) | ✗ | 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 |
| InP | ICSD | 180911 | P6_3mc (186) | ✗ | 4 | 36 | 3 | 0.5486 | 0.549 | 0.000 | (0;000) | ✗ | 06/10/16 |
| 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 |
| RbAlO2 | ICSD | 28373 | Fd-3m (227) | ✔ | 8 | 48 | 3 | 3.7643 | 3.769 | 0.000 | (0;000) | ✗ | 05/01/17 |
| V2CdO6 | COD | 1527174 | C2/m (12) | ✔ | 9 | 74 | 3 | 2.1666 | 2.225 | 0.000 | (0;000) | ✗ | 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 |
| SiPt3 | ICSD | 246170 | C2/m (12) | ✔ | 8 | 68 | 3 | 0.0 | 0.131 | 0.074 | (0;000) | ✔ | 27/01/17 |
| AlTlO2 | ICSD | 29010 | R-3m (166) | ✔ | 8 | 56 | 3 | 1.3755 | 1.384 | 0.000 | (0;000) | ✗ | 05/01/17 |
| Ti(NbSe2)2 | ICSD | 645395 | C2/m (12) | ✔ | 7 | 62 | 3 | 0.0 | 0.024 | 0.723 | (0;000) | ✗ | 27/01/17 |
| Nb3Os | COD | 1523064 | Pm-3n (223) | ✔ | 8 | 110 | 3 | 0.0 | 0.000 | 0.779 | (0;000) | ✗ | 27/01/17 |
| ScAlO3 | COD | 9005885 | Pnma (62) | ✔ | 20 | 128 | 3 | 4.6104 | 4.791 | 0.000 | (0;000) | ✗ | 05/01/17 |
| Nb3Pt | COD | 1523069 | Pm-3n (223) | ✔ | 8 | 98 | 3 | 0.0 | 0.000 | 0.496 | (0;000) | ✗ | 27/01/17 |
| Nb3Rh | ICSD | 105216 | Pm-3n (223) | ✔ | 8 | 112 | 3 | 0.0 | 0.001 | 0.614 | (0;000) | ✗ | 27/01/17 |
| YAlO3 | COD | 1008923 | P6_3/mmc (194) | ✔ | 10 | 64 | 3 | 3.0644 | 3.469 | 0.000 | (0;000) | ✗ | 05/01/17 |
| AlPO4 | ICSD | 159272 | Cmcm (63) | ✔ | 12 | 64 | 3 | 6.2169 | 6.335 | 0.000 | (0;000) | ✗ | 05/01/17 |
| TaAlO4 | COD | 2002498 | C2/m (12) | ✔ | 12 | 80 | 3 | 4.1642 | 4.519 | 0.000 | (0;000) | ✗ | 05/01/17 |
| Nb3Te | COD | 1523365 | Pm-3n (223) | ✔ | 8 | 90 | 3 | 0.0 | 0.000 | 0.739 | (0;000) | ✗ | 27/01/17 |
| AlV2O4 | COD | 9012337 | Fd-3m (227) | ✔ | 14 | 106 | 3 | 0.0 | 0.000 | 0.645 | (0;000) | ✗ | 05/01/17 |
| ScAlPd2 | ICSD | 58120 | Fm-3m (225) | ✔ | 4 | 50 | 3 | 0.0 | 0.000 | 0.644 | (0;000) | ✗ | 05/01/17 |
| CdSnO3 | ICSD | 180400 | R-3 (148) | ✔ | 10 | 88 | 3 | 1.1762 | 1.263 | 0.000 | (0;000) | ✗ | 27/01/17 |
| NbNi3 | COD | 1522733 | Pmmn (59) | ✔ | 8 | 86 | 3 | 0.0 | 0.000 | 0.830 | (0;000) | ✗ | 27/01/17 |
| NbNiP | ICSD | 645088 | Pnma (62) | ✔ | 12 | 112 | 3 | 0.0 | 0.013 | 0.279 | (0;000) | ✗ | 27/01/17 |
| V2CdO4 | COD | 9012330 | Fd-3m (227) | ✔ | 14 | 124 | 3 | 0.0 | 0.009 | 0.528 | (0;000) | ✗ | 27/01/17 |
| NbO2 | ICSD | 56018 | P4_2/mnm (136) | ✔ | 6 | 50 | 3 | 0.0 | 0.000 | 0.924 | (0;000) | ✗ | 27/01/17 |
| YNbO4 | COD | 9011436 | C2/c (15) | ✔ | 12 | 96 | 3 | 3.6266 | 3.747 | 0.000 | (0;000) | ✗ | 27/01/17 |
| NbPO5 | COD | 1517726 | P4/nmm (129) | ✔ | 14 | 96 | 3 | 3.3846 | 3.666 | 0.000 | (0;000) | ✗ | 27/01/17 |
| InBr | ICSD | 23126 | Ccmm (63) | ✔ | 4 | 40 | 3 | 1.3218 | 1.469 | 0.000 | (0;000) | ✗ | 06/10/16 |
| TlBr | ICSD | 109144 | Cmcm (63) | ✔ | 4 | 40 | 2 | 1.8054 | 1.828 | 0.000 | (0;000) | ✗ | 27/01/17 |
| ZrAlPt2 | ICSD | 58139 | P6_3/mmc (194) | ✔ | 8 | 54 | 3 | 0.0 | 0.000 | 0.927 | (0;000) | ✗ | 05/01/17 |
| TiAlPt | ICSD | 163350 | P6_3/mmc (194) | ✔ | 6 | 50 | 3 | 0.0 | 0.000 | 0.904 | (0;000) | ✗ | 05/01/17 |
| NbPRu | ICSD | 645175 | Pnma (62) | ✔ | 12 | 136 | 3 | 0.0 | 0.041 | 0.110 | (0;000) | ✗ | 27/01/17 |
| NbPSe | COD | 4343766 | Immm (71) | ✔ | 6 | 48 | 3 | 0.0 | 0.020 | 0.494 | (0;000) | ✗ | 27/01/17 |
| NbPS | COD | 4343765 | Immm (71) | ✔ | 6 | 48 | 3 | 0.0 | 0.060 | 0.466 | (0;000) | ✗ | 27/01/17 |
| Cd(PtO2)3 | ICSD | 35407 | Cmmm (65) | ✔ | 10 | 78 | 3 | 0.0 | 0.262 | 0.070 | (0;000) | ✗ | 27/01/17 |
| PdBr2 | ICSD | 27443 | C2/c (15) | ✔ | 6 | 64 | 1 | 0.509 | 0.945 | 0.000 | (0;000) | ✗ | 27/01/17 |
| AlV3 | ICSD | 609614 | Pm-3n (223) | ✔ | 8 | 84 | 3 | 0.0 | 0.001 | 0.696 | (0;000) | ✗ | 05/01/17 |
| CaBr2 | ICSD | 14220 | Pmnn (58) | ✔ | 6 | 48 | 1 | 4.4866 | 4.487 | 0.000 | (0;000) | ✗ | 06/10/16 |
| YAl | ICSD | 609650 | Cmcm (63) | ✔ | 4 | 28 | 3 | 0.0 | 0.018 | 0.400 | (0;000) | ✗ | 05/01/17 |
| Cd(RhO2)2 | COD | 4329525 | Fd-3m (227) | ✔ | 14 | 140 | 3 | 0.8771 | 0.883 | 0.000 | (0;000) | ✗ | 27/01/17 |
| YCo | ICSD | 20954 | Cmcm (63) | ✔ | 4 | 56 | 3 | 0.0 | 0.028 | 0.138 | (0;000) | ✗ | 27/01/17 |
| YAlZn | ICSD | 609667 | P6_3/mmc (194) | ✔ | 6 | 52 | 3 | 0.0 | 0.006 | 0.377 | (0;000) | ✗ | 05/01/17 |
| Zr2Al | ICSD | 609694 | P6_3/mmc (194) | ✔ | 6 | 22 | 3 | 0.0 | 0.000 | 0.899 | (0;000) | ✗ | 05/01/17 |
| SBr | ICSD | 37020 | Cc2e (41) | ✗ | 8 | 52 | 1 | 2.0962 | 2.254 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Ba2Zn3(AsO)2 | ICSD | 67998 | I4/mmm (139) | ✔ | 9 | 78 | 1 | 0.1283 | 0.129 | 0.000 | (0;000) | ✗ | 05/01/17 |
| Ba(CdAs)2 | ICSD | 30917 | P-3m1 (164) | ✔ | 5 | 44 | 2 | 0.1831 | 0.183 | 0.000 | (0;000) | ✗ | 05/01/17 |
| NbSe2 | COD | 9014575 | P6_3/mmc (194) | ✔ | 6 | 50 | 2 | 0.0 | 0.000 | 0.905 | (0;000) | ✗ | 27/01/17 |
| Si(NiO2)2 | COD | 9005829 | Fd-3m (227) | ✔ | 14 | 96 | 3 | 0.0 | 0.006 | 0.582 | (0;000) | ✗ | 27/01/17 |
| CrBr3 | ICSD | 24768 | R-3 (148) | ✔ | 8 | 70 | 2 | 0.0 | 0.029 | 0.410 | (0;000) | ✗ | 06/10/16 |
| NaVCdO4 | ICSD | 28120 | Cmcm (63) | ✔ | 14 | 116 | 3 | 2.1323 | 2.380 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Sr(NiSb)2 | ICSD | 646442 | I4/mmm (139) | ✔ | 5 | 40 | 3 | 0.0 | 0.009 | 0.764 | (0;000) | ✗ | 27/01/17 |
| ZrNi2Sb | ICSD | 162586 | P6_3/mmc (194) | ✔ | 8 | 58 | 3 | 0.0 | 0.000 | 0.882 | (0;000) | ✗ | 27/01/17 |