Plotting...
| ▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▴ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| SrLiP | ICSD | 56443 | P-6m2 (187) | ✗ | 3 | 18 | 1 | 0.3973 | 0.955 | 0.000 | (0;000) | ✔ | 06/10/16 |
| NaNO2 | ICSD | 9265 | Imm2 (44) | ✗ | 4 | 26 | 1 | 2.5403 | 2.720 | 0.000 | (0;000) | ✗ | 06/10/16 |
| AsI3 | ICSD | 23003 | R-3 (148) | ✔ | 8 | 52 | 1 | 1.9506 | 2.019 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Li2SiO3 | ICSD | 853 | Ccm2_1 (36) | ✗ | 12 | 56 | 1 | 5.3811 | 5.691 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Li5(NiN)3 | ICSD | 411152 | P-62m (189) | ✗ | 11 | 60 | 1 | 0.0 | 0.000 | 0.970 | ? | ✗ | 06/10/16 |
| NaLi5N2 | ICSD | 92314 | Pm (6) | ✗ | 8 | 34 | 1 | 0.0 | 0.133 | 0.003 | (0;000) | ✔ | 06/10/16 |
| BaTe3 | ICSD | 36366 | P-42_1m (113) | ✗ | 8 | 56 | 1 | 0.719 | 0.730 | 0.000 | (0;000) | ✗ | 06/10/16 |
| NaMnSe2 | ICSD | 50818 | P3m1 (156) | ✗ | 4 | 36 | 1 | 0.0 | 0.015 | 0.720 | (1;100) | ✔ | 06/10/16 |
| NaNO2 | ICSD | 15400 | Imm2 (44) | ✗ | 4 | 26 | 1 | 2.5342 | 2.717 | 0.000 | (0;000) | ✗ | 06/10/16 |
| NaNO2 | ICSD | 174026 | Im2m (44) | ✗ | 4 | 26 | 1 | 2.5123 | 2.696 | 0.000 | (0;000) | ✗ | 06/10/16 |
| NaSnP | ICSD | 409010 | P6_3mc (186) | ✗ | 6 | 56 | 1 | 0.5734 | 1.173 | 0.000 | (0;000) | ✗ | 06/10/16 |
| HCl | ICSD | 28844 | Fmmm (69) | ✔ | 2 | 8 | 1 | 0.0 | 0.033 | 0.154 | (1;000) | ✗ | 06/10/16 |
| GeF4 | ICSD | 202558 | I-43m (217) | ✗ | 5 | 32 | 1 | 6.2961 | 6.758 | 0.000 | (0;000) | ✗ | 06/10/16 |
| KAgO | ICSD | 25744 | I-4 (82) | ✗ | 12 | 104 | 1 | 1.4553 | 1.701 | 0.000 | (0;000) | ✗ | 06/10/16 |
| CaAs3 | ICSD | 193 | P-1 (2) | ✔ | 8 | 50 | 1 | 0.0 | 0.060 | 0.008 | (1;100) | ✗ | 06/10/16 |
| BeF2 | ICSD | 9481 | P6_222 (180) | ✗ | 9 | 54 | 1 | 8.125 | 8.200 | 0.000 | (0;000) | ✗ | 06/10/16 |
| CaZn | ICSD | 58944 | Ccmm (63) | ✔ | 4 | 44 | 1 | 0.0 | 0.019 | 0.538 | (0;110) | ✗ | 06/10/16 |
| KBrO3 | ICSD | 33663 | R3m (160) | ✗ | 5 | 34 | 1 | 3.1451 | 3.145 | 0.000 | (0;000) | ✗ | 06/10/16 |
| BeO | ICSD | 163467 | F-43m (216) | ✗ | 2 | 10 | 1 | 6.9092 | 7.605 | 0.000 | (0;000) | ✗ | 06/10/16 |
| CaAu | ICSD | 54978 | Cmcm (63) | ✔ | 4 | 42 | 1 | 0.0 | 0.000 | 0.634 | (0;000) | ✗ | 05/01/17 |
| NaNO2 | ICSD | 68707 | Imm2 (44) | ✗ | 4 | 26 | 1 | 2.4546 | 2.635 | 0.000 | (0;000) | ✗ | 06/10/16 |
| NaNO2 | ICSD | 76000 | Im2m (44) | ✗ | 4 | 26 | 1 | 2.5278 | 2.709 | 0.000 | (0;000) | ✗ | 06/10/16 |
| BeO | ICSD | 601160 | P6_3mc (186) | ✗ | 4 | 20 | 1 | 7.4832 | 7.483 | 0.000 | (0;000) | ✗ | 06/10/16 |
| CaBi2 | ICSD | 659277 | Cmcm (63) | ✔ | 6 | 80 | 1 | 0.0 | 0.032 | 0.360 | (0;110) | ✗ | 05/01/17 |
| SiF4 | ICSD | 14122 | I-43m (217) | ✗ | 5 | 32 | 1 | 8.056 | 8.625 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Sr5Bi3 | ICSD | 41838 | P6_3/mcm (193) | ✔ | 16 | 130 | 1 | 0.0 | 0.000 | 0.580 | (1;000) | ✗ | 06/10/16 |
| MoBr3 | ICSD | 413690 | C2mm (38) | ✗ | 8 | 70 | 1 | 0.0 | 0.001 | 0.433 | (0;011) | ✔ | 04/10/16 |
| CaBr2 | ICSD | 14220 | Pmnn (58) | ✔ | 6 | 48 | 1 | 4.4866 | 4.487 | 0.000 | (0;000) | ✗ | 06/10/16 |
| CaZn | ICSD | 184361 | Cmcm (63) | ✔ | 4 | 44 | 1 | 0.0 | 0.012 | 0.543 | (1;110) | ✗ | 27/01/17 |
| NaVS2 | ICSD | 644994 | R3m (160) | ✗ | 4 | 34 | 1 | 0.0 | 0.004 | 0.353 | (1;000) | ✔ | 06/10/16 |
| AuCl2 | ICSD | 201436 | P-1 (2) | ✔ | 12 | 100 | 1 | 0.7861 | 1.208 | 0.000 | (0;000) | ✗ | 06/10/16 |
| BBr3 | ICSD | 173374 | P2_1/m (11) | ✔ | 8 | 48 | 1 | 3.5823 | 3.889 | 0.000 | (0;000) | ✗ | 06/10/16 |
| BCl3 | ICSD | 24526 | P2_1/m (11) | ✔ | 8 | 48 | 1 | 3.2389 | 3.347 | 0.000 | (0;000) | ✗ | 06/10/16 |
| NbBr5 | ICSD | 409917 | P-1 (2) | ✔ | 12 | 96 | 1 | 0.1833 | 0.196 | 0.000 | (0;000) | ✗ | 06/10/16 |
| BeSe | ICSD | 183374 | F-43m (216) | ✗ | 2 | 10 | 1 | 2.4499 | 4.314 | 0.000 | (0;000) | ✗ | 06/10/16 |
| CS2 | ICSD | 15672 | Cmce (64) | ✔ | 6 | 32 | 1 | 0.3788 | 0.877 | 0.000 | (0;000) | ✗ | 06/10/16 |
| CaC2 | ICSD | 290834 | Cmcm (63) | ✔ | 6 | 36 | 1 | 0.0 | 0.051 | 0.065 | (0;000) | ✗ | 06/10/16 |
| BI3 | ICSD | 173375 | P2_1/m (11) | ✔ | 8 | 48 | 1 | 2.4262 | 2.516 | 0.000 | (0;000) | ✗ | 06/10/16 |
| BeTe | ICSD | 183375 | F-43m (216) | ✗ | 2 | 10 | 1 | 1.572 | 3.253 | 0.000 | (0;000) | ✗ | 06/10/16 |
| CaC2 | ICSD | 74665 | I4/mmm (139) | ✔ | 3 | 18 | 1 | 1.6401 | 2.615 | 0.000 | (0;000) | ✗ | 06/10/16 |
| CaGa | ICSD | 260641 | Ccmm (63) | ✔ | 4 | 46 | 1 | 0.0 | 0.000 | 0.830 | (0;000) | ✗ | 06/10/16 |
| CaGe | ICSD | 185653 | Cmcm (63) | ✔ | 4 | 28 | 1 | 0.0 | 0.031 | 0.197 | (0;110) | ✗ | 06/10/16 |
| MgF2 | ICSD | 51242 | Cm2m (38) | ✗ | 3 | 24 | 1 | 0.86 | 0.994 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Ca3Hg | ICSD | 58903 | Pm-3m (221) | ✔ | 4 | 42 | 1 | 0.0 | 0.000 | 0.492 | (1;000) | ✗ | 27/01/17 |
| MoBr3 | ICSD | 9422 | Cm2m (38) | ✗ | 8 | 70 | 1 | 0.0 | 0.011 | 0.407 | (0;110) | ✔ | 04/10/16 |
| Ca3Zn | ICSD | 184359 | Cmcm (63) | ✔ | 8 | 84 | 1 | 0.0 | 0.002 | 0.471 | (1;110) | ✗ | 02/02/17 |
| Be5Pt | ICSD | 616395 | F-43m (216) | ✗ | 6 | 30 | 1 | 0.0 | 0.584 | 0.071 | (0;000) | ✔ | 06/10/16 |
| TlCl | ICSD | 109143 | Cmcm (63) | ✔ | 4 | 40 | 1 | 2.1142 | 2.114 | 0.000 | (0;000) | ✗ | 27/01/17 |
| PtCl2 | ICSD | 44512 | Pnnm (58) | ✔ | 6 | 48 | 1 | 0.946 | 1.300 | 0.000 | (0;000) | ✗ | 27/01/17 |
| PdCl2 | ICSD | 30209 | Pmnn (58) | ✔ | 6 | 48 | 1 | 0.7678 | 1.190 | 0.000 | (0;000) | ✗ | 06/10/16 |
| CO2 | ICSD | 188893 | Cmce (64) | ✔ | 6 | 32 | 1 | 0.8836 | 1.332 | 0.000 | (0;000) | ✗ | 27/01/17 |
| BaGe | ICSD | 52688 | Cmcm (63) | ✔ | 4 | 28 | 1 | 0.0 | 0.011 | 0.146 | (0;110) | ✗ | 06/10/16 |
| BaIn | ICSD | 414228 | Cmcm (63) | ✔ | 8 | 92 | 1 | 0.0 | 0.011 | 0.250 | (1;000) | ✗ | 02/02/17 |
| GaCl3 | ICSD | 30336 | P-1 (2) | ✔ | 8 | 68 | 1 | 0.0 | 0.013 | 0.056 | (1;000) | ✗ | 06/10/16 |
| BaPb | ICSD | 58664 | Cmcm (63) | ✔ | 4 | 48 | 1 | 0.0 | 0.085 | 0.123 | (0;110) | ✗ | 06/10/16 |
| BaSi | ICSD | 191760 | Cmcm (63) | ✔ | 4 | 28 | 1 | 0.0 | 0.020 | 0.547 | (1;110) | ✗ | 06/10/16 |
| BaSn | ICSD | 58678 | Cmcm (63) | ✔ | 4 | 48 | 1 | 0.0 | 0.023 | 0.135 | (0;110) | ✗ | 05/01/17 |
| Ba2Bi | ICSD | 2141 | I4/mmm (139) | ✔ | 6 | 70 | 1 | 0.0 | 0.014 | 0.226 | (0;111) | ✗ | 02/02/17 |
| Sr2Bi | ICSD | 41836 | I4/mmm (139) | ✔ | 6 | 50 | 1 | 0.0 | 0.035 | 0.055 | (0;111) | ✗ | 06/10/16 |
| TlCl2 | ICSD | 4031 | I4_1/a (88) | ✔ | 12 | 108 | 1 | 2.4354 | 2.536 | 0.000 | (0;000) | ✗ | 02/02/17 |
| ICl3 | ICSD | 24714 | P-1 (2) | ✔ | 8 | 56 | 1 | 1.5447 | 1.545 | 0.000 | (0;000) | ✗ | 06/10/16 |
| VCl5 | ICSD | 425146 | P-1 (2) | ✔ | 12 | 96 | 1 | 0.3098 | 0.388 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CuO2 | ICSD | 150913 | Ccmm (63) | ✔ | 6 | 46 | 1 | 0.0 | 0.000 | 0.927 | (0;110) | ✗ | 06/10/16 |
| BaSiC | ICSD | 168413 | I4mm (107) | ✗ | 3 | 18 | 1 | 0.0347 | 0.793 | 0.000 | (0;000) | ✔ | 07/10/16 |
| Ca2Bi | ICSD | 42136 | I4/mmm (139) | ✔ | 6 | 50 | 1 | 0.0 | 0.059 | 0.073 | (0;000) | ✗ | 06/10/16 |
| CuTe | ICSD | 42592 | Pmmn (59) | ✔ | 4 | 34 | 1 | 0.0 | 0.000 | 0.952 | (1;010) | ✗ | 02/02/17 |
| Bi2O3 | ICSD | 168811 | Fd-3m (227) | ✔ | 20 | 112 | 1 | 2.1934 | 2.260 | 0.000 | (0;000) | ✗ | 06/10/16 |
| SrGe | ICSD | 43099 | Cmcm (63) | ✔ | 4 | 28 | 1 | 0.0 | 0.034 | 0.168 | (0;110) | ✗ | 06/10/16 |
| Mg3Ge | ICSD | 70070 | P-1 (2) | ✔ | 8 | 68 | 1 | 0.0 | 0.000 | 0.605 | (0;000) | ✗ | 06/10/16 |
| Li2Ga | ICSD | 100051 | Cmcm (63) | ✔ | 6 | 38 | 1 | 0.0 | 0.000 | 0.778 | (1;110) | ✗ | 06/10/16 |
| BiI | ICSD | 1558 | C2/m (12) | ✔ | 16 | 96 | 1 | 0.1374 | 0.153 | 0.000 | (0;000) | ✗ | 06/10/16 |
| BiI | ICSD | 1559 | C2/m (12) | ✔ | 8 | 48 | 1 | 0.139 | 0.161 | 0.000 | (0;001) | ✗ | 06/10/16 |
| Na6PbO5 | ICSD | 15102 | I4mm (107) | ✗ | 12 | 98 | 1 | 1.4651 | 1.529 | 0.000 | (0;000) | ✗ | 07/10/16 |
| Rb3NbO8 | ICSD | 407327 | I-42m (121) | ✗ | 12 | 88 | 1 | 3.0135 | 3.184 | 0.000 | (0;000) | ✗ | 07/10/16 |
| Bi8Te9 | ICSD | 106330 | R-3m (166) | ✔ | 17 | 94 | 1 | 0.0 | 0.033 | 0.669 | (0;111) | ✗ | 06/10/16 |
| K2S | ICSD | 412535 | Cmcm (63) | ✔ | 6 | 48 | 1 | 2.7895 | 2.790 | 0.000 | (0;000) | ✗ | 27/01/17 |
| HfBe2 | ICSD | 616288 | P6/mmm (191) | ✔ | 3 | 20 | 1 | 0.0 | 0.009 | 0.660 | (0;000) | ✗ | 05/01/17 |
| Mg(BeN)2 | ICSD | 413358 | P-3m1 (164) | ✔ | 5 | 28 | 1 | 4.042 | 4.949 | 0.000 | (0;000) | ✗ | 05/01/17 |
| PdI2 | ICSD | 23169 | Pnnm (58) | ✔ | 6 | 64 | 1 | 0.6718 | 0.969 | 0.000 | (0;000) | ✗ | 02/02/17 |
| K3Bi | ICSD | 26885 | Ccmm (63) | ✔ | 8 | 84 | 1 | 0.0 | 0.006 | 0.037 | (0;000) | ✗ | 06/10/16 |
| K3Bi | ICSD | 58793 | Fm-3m (225) | ✔ | 4 | 42 | 1 | 0.0 | 0.000 | 0.012 | (1;000) | ✗ | 05/01/17 |
| BeSe | ICSD | 53934 | Fm-3m (225) | ✔ | 2 | 10 | 1 | 0.0 | 2.642 | 0.027 | (0;000) | ✗ | 05/01/17 |
| PI2 | ICSD | 203216 | P-1 (2) | ✔ | 6 | 38 | 1 | 1.5597 | 1.560 | 0.000 | (0;000) | ✗ | 06/10/16 |
| NbI5 | ICSD | 10457 | P-1 (2) | ✔ | 12 | 96 | 1 | 0.0 | 0.048 | 0.113 | (0;111) | ✗ | 06/10/16 |
| Li3Bi | ICSD | 58797 | Fm-3m (225) | ✔ | 4 | 24 | 1 | 0.0 | 0.403 | 0.105 | (0;000) | ✗ | 05/01/17 |
| Li2In | ICSD | 51961 | Cmcm (63) | ✔ | 6 | 38 | 1 | 0.0 | 0.000 | 0.804 | (1;110) | ✗ | 27/01/17 |
| Ba | ICSD | 615773 | P6_3/mmc (194) | ✔ | 2 | 20 | 1 | 0.0 | 0.019 | 0.268 | (0;000) | ✗ | 05/01/17 |
| CaO | COD | 9006708 | Fm-3m (225) | ✔ | 2 | 16 | 1 | 3.649 | 4.030 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Na3Bi | ICSD | 26881 | Ccmm (63) | ✔ | 8 | 84 | 1 | 0.0 | 0.029 | 0.008 | (1;000) | ✗ | 06/10/16 |
| Li2Tl | ICSD | 642401 | Cmcm (63) | ✔ | 6 | 38 | 1 | 0.0 | 0.000 | 0.717 | (1;110) | ✗ | 27/01/17 |
| SiH8 | ICSD | 169739 | I-4m2 (119) | ✗ | 9 | 12 | 1 | 6.0135 | 6.275 | 0.000 | (0;000) | ✗ | 06/10/16 |
| SrPb | ICSD | 105623 | Cmcm (63) | ✔ | 4 | 48 | 1 | 0.0 | 0.038 | 0.256 | (0;110) | ✗ | 06/10/16 |
| NaF | COD | 9007458 | Fm-3m (225) | ✔ | 2 | 16 | 1 | 6.2699 | 6.270 | 0.000 | (0;000) | ✗ | 27/01/17 |
| NaO2 | ICSD | 180562 | Pmnn (58) | ✔ | 6 | 42 | 1 | 0.0 | 0.000 | 0.985 | (0;110) | ✗ | 06/10/16 |
| Rb3Bi | ICSD | 58849 | Fm-3m (225) | ✔ | 4 | 32 | 1 | 0.0 | 0.000 | 0.038 | (1;000) | ✗ | 06/10/16 |
| Rb3Bi | ICSD | 616995 | Ccmm (63) | ✔ | 8 | 64 | 1 | 0.0 | 0.003 | 0.057 | (0;000) | ✗ | 06/10/16 |
| BaAgSF | ICSD | 183713 | P4/nmm (129) | ✔ | 8 | 68 | 1 | 1.4697 | 1.470 | 0.000 | (0;000) | ✗ | 05/01/17 |
| BaAgTeF | ICSD | 419382 | P4/nmm (129) | ✔ | 8 | 68 | 1 | 1.3753 | 1.375 | 0.000 | (0;000) | ✗ | 05/01/17 |
| SiPt | ICSD | 248491 | Pmnb (62) | ✔ | 8 | 56 | 1 | 0.0138 | 0.018 | 0.000 | (0;000) | ✗ | 06/10/16 |
| NaNO2 | ICSD | 43485 | Imm2 (44) | ✗ | 4 | 26 | 1 | 2.5378 | 2.720 | 0.000 | (0;000) | ✗ | 06/10/16 |