Plotting...
| ▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▴ ν | wcc | ▹ updated |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| LaBr3 | ICSD | 31581 | P2_1/m (11) | ✔ | 8 | 48 | 3 | 3.1889 | 3.189 | 0.000 | (0;000) | ✗ | 06/10/16 |
| FeBr3 | ICSD | 76421 | R-3 (148) | ✔ | 8 | 58 | 2 | 0.0 | 0.026 | 0.272 | (0;000) | ✗ | 06/10/16 |
| InSe | ICSD | 1884 | R3m (160) | ✗ | 4 | 38 | 2 | 0.4229 | 0.424 | 0.000 | (0;000) | ✔ | 06/10/16 |
| Rb2Se3 | ICSD | 14093 | Ccm2_1 (36) | ✗ | 10 | 72 | 1 | 0.7189 | 0.828 | 0.000 | (0;000) | ✗ | 06/10/16 |
| PbS | ICSD | 183240 | Cmcm (63) | ✔ | 4 | 40 | 2 | 1.2082 | 1.208 | 0.000 | (0;000) | ✗ | 27/01/17 |
| FeBr3 | ICSD | 410924 | R-3 (148) | ✔ | 8 | 58 | 2 | 0.0 | 0.010 | 0.479 | (0;000) | ✗ | 02/02/17 |
| TlInS2 | ICSD | 654688 | P6_3/mmc (194) | ✔ | 8 | 76 | 2 | 0.4358 | 1.181 | 0.000 | (0;000) | ✗ | 27/01/17 |
| TaInSe2 | ICSD | 640520 | P-6m2 (187) | ✗ | 4 | 38 | 3 | 0.0 | 0.006 | 0.346 | (0;000) | ✔ | 06/10/16 |
| PbS | ICSD | 183241 | Pmnb (62) | ✔ | 8 | 80 | 2 | 0.9413 | 0.962 | 0.000 | (0;000) | ✗ | 06/10/16 |
| InCl | ICSD | 2431 | Cc2m (40) | ✗ | 4 | 40 | 1 | 1.4421 | 1.528 | 0.000 | (0;000) | ✗ | 06/10/16 |
| PbSe | ICSD | 648514 | Pnma (62) | ✔ | 8 | 80 | 3 | 0.6688 | 0.905 | 0.000 | (0;000) | ✗ | 02/02/17 |
| BN | ICSD | 162883 | P2_1/c (14) | ✔ | 8 | 32 | 2 | 3.1457 | 3.540 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Rb2Te | ICSD | 55151 | Ccm2_1 (36) | ✗ | 6 | 48 | 2 | 1.9925 | 1.993 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Tl3VS4 | ICSD | 651257 | I-43m (217) | ✗ | 8 | 76 | 3 | 1.4019 | 1.402 | 0.000 | (0;000) | ✗ | 06/10/16 |
| CrBr3 | ICSD | 24768 | R-3 (148) | ✔ | 8 | 70 | 2 | 0.0 | 0.029 | 0.410 | (0;000) | ✗ | 06/10/16 |
| Zn(InSe2)2 | ICSD | 25647 | I-4 (82) | ✗ | 7 | 62 | 3 | 1.0876 | 1.088 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Zn(InTe2)2 | ICSD | 25650 | I-4 (82) | ✗ | 7 | 62 | 3 | 0.8631 | 0.863 | 0.000 | (0;000) | ✗ | 06/10/16 |
| SBr | ICSD | 37020 | Cc2e (41) | ✗ | 8 | 52 | 1 | 2.0962 | 2.254 | 0.000 | (0;000) | ✗ | 06/10/16 |
| SbIrS | ICSD | 41400 | P2_13 (198) | ✗ | 12 | 80 | 3 | 1.5396 | 1.688 | 0.000 | (0;000) | ✗ | 06/10/16 |
| SbIrS | ICSD | 74630 | Pca2_1 (29) | ✗ | 12 | 80 | 3 | 0.9438 | 1.385 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Ga2TeSe2 | ICSD | 64617 | I4_1md (109) | ✗ | 10 | 88 | 3 | 1.673 | 1.679 | 0.000 | (0;000) | ✗ | 07/10/16 |
| KNO2 | ICSD | 26764 | Cm (8) | ✗ | 4 | 26 | 1 | 2.3753 | 2.619 | 0.000 | (0;000) | ✗ | 06/10/16 |
| SnPd | ICSD | 109415 | Pmnb (62) | ✔ | 8 | 96 | 3 | 0.0 | 0.018 | 0.403 | (0;000) | ✗ | 06/10/16 |
| KNO3 | ICSD | 260601 | R3m (160) | ✗ | 5 | 32 | 1 | 3.1468 | 3.147 | 0.000 | (0;000) | ✗ | 06/10/16 |
| KNO3 | ICSD | 260602 | R3m (160) | ✗ | 5 | 32 | 1 | 3.0852 | 3.085 | 0.000 | (0;000) | ✗ | 06/10/16 |
| KNO3 | ICSD | 384 | R3m (160) | ✗ | 5 | 32 | 1 | 1.7583 | 1.758 | 0.000 | (0;000) | ✗ | 06/10/16 |
| KNO3 | ICSD | 71398 | R3m (160) | ✗ | 5 | 32 | 1 | 3.3139 | 3.314 | 0.000 | (0;000) | ✗ | 06/10/16 |
| KNbO3 | ICSD | 14363 | C2mm (38) | ✗ | 5 | 40 | 3 | 2.0944 | 2.921 | 0.000 | (0;000) | ✗ | 06/10/16 |
| KNbO3 | ICSD | 190922 | C2mm (38) | ✗ | 5 | 40 | 3 | 2.1224 | 2.960 | 0.000 | (0;000) | ✗ | 06/10/16 |
| KNbO3 | ICSD | 190923 | R3m (160) | ✗ | 5 | 40 | 3 | 2.4036 | 3.267 | 0.000 | (0;000) | ✗ | 06/10/16 |
| YCo | ICSD | 20954 | Cmcm (63) | ✔ | 4 | 56 | 3 | 0.0 | 0.028 | 0.138 | (0;000) | ✗ | 27/01/17 |
| KNbO3 | ICSD | 9533 | C2mm (38) | ✗ | 5 | 40 | 3 | 2.0831 | 2.916 | 0.000 | (0;000) | ✗ | 06/10/16 |
| KNbO3 | ICSD | 9534 | R3m (160) | ✗ | 5 | 40 | 3 | 2.4592 | 3.318 | 0.000 | (0;000) | ✗ | 06/10/16 |
| KSnSb | ICSD | 33933 | P6_3mc (186) | ✗ | 6 | 56 | 1 | 0.2551 | 0.301 | 0.000 | (0;000) | ✔ | 06/10/16 |
| CaBr2 | ICSD | 14220 | Pmnn (58) | ✔ | 6 | 48 | 1 | 4.4866 | 4.487 | 0.000 | (0;000) | ✗ | 06/10/16 |
| KZnSb | ICSD | 44680 | P-6m2 (187) | ✗ | 3 | 26 | 2 | 0.2326 | 0.390 | 0.000 | (0;000) | ✔ | 06/10/16 |
| K2PbO3 | ICSD | 22063 | Cmc2_1 (36) | ✗ | 12 | 100 | 1 | 0.9829 | 0.983 | 0.000 | (0;000) | ✗ | 06/10/16 |
| K2Sn2O3 | ICSD | 2216 | R3 (146) | ✗ | 7 | 64 | 2 | 0.8749 | 0.875 | 0.000 | (0;000) | ✗ | 06/10/16 |
| K3SbS4 | ICSD | 41895 | I-43m (217) | ✗ | 8 | 56 | 1 | 2.2119 | 2.258 | 0.000 | (0;000) | ✗ | 06/10/16 |
| MgCl2 | ICSD | 51245 | P-4m2 (115) | ✗ | 3 | 24 | 2 | 4.679 | 5.054 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Sr4SO3 | ICSD | 165969 | Pm-3m (221) | ✔ | 8 | 64 | 1 | 2.6881 | 2.688 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Sr4S3O | ICSD | 165967 | Pm-3m (221) | ✔ | 8 | 64 | 1 | 2.1198 | 2.120 | 0.000 | (0;000) | ✗ | 06/10/16 |
| ZrPt | ICSD | 649884 | Cmcm (63) | ✔ | 4 | 28 | 3 | 0.0 | 0.027 | 0.426 | (0;000) | ✗ | 27/01/17 |
| Sr2SO | ICSD | 165968 | P4/mmm (123) | ✔ | 4 | 32 | 1 | 2.1939 | 2.194 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Na5LiN2 | ICSD | 92316 | P1 (1) | ✗ | 8 | 58 | 3 | 0.0 | 0.039 | 0.116 | (0;000) | ✔ | 06/10/16 |
| LiSi2N3 | ICSD | 34118 | Ccm2_1 (36) | ✗ | 12 | 52 | 3 | 4.9582 | 5.231 | 0.000 | (0;000) | ✗ | 06/10/16 |
| LiSi2N3 | ICSD | 89524 | Ccm2_1 (36) | ✗ | 12 | 52 | 3 | 5.1783 | 5.661 | 0.000 | (0;000) | ✗ | 06/10/16 |
| LiNbO3 | ICSD | 109458 | R3c (161) | ✗ | 10 | 68 | 3 | 3.5701 | 3.633 | 0.000 | (0;000) | ✗ | 06/10/16 |
| LiNbO3 | ICSD | 155360 | R3c (161) | ✗ | 10 | 68 | 3 | 3.4643 | 3.506 | 0.000 | (0;000) | ✗ | 06/10/16 |
| LiNbO3 | ICSD | 155361 | R3c (161) | ✗ | 10 | 68 | 3 | 3.4414 | 3.465 | 0.000 | (0;000) | ✗ | 06/10/16 |
| LiNbO3 | ICSD | 164260 | R3c (161) | ✗ | 10 | 68 | 3 | 3.4367 | 3.460 | 0.000 | (0;000) | ✗ | 06/10/16 |
| LiNbO3 | ICSD | 164933 | R3c (161) | ✗ | 10 | 68 | 3 | 3.4522 | 3.474 | 0.000 | (0;000) | ✗ | 06/10/16 |
| NaNO2 | ICSD | 174034 | Imm2 (44) | ✗ | 4 | 26 | 1 | 2.5796 | 2.742 | 0.000 | (0;000) | ✗ | 06/10/16 |
| LiNbO3 | ICSD | 167130 | R3c (161) | ✗ | 10 | 68 | 3 | 3.0567 | 3.070 | 0.000 | (0;000) | ✗ | 06/10/16 |
| LiNbO3 | ICSD | 169695 | R3c (161) | ✗ | 10 | 68 | 3 | 3.429 | 3.550 | 0.000 | (0;000) | ✗ | 06/10/16 |
| LiNbO3 | ICSD | 169696 | R3c (161) | ✗ | 10 | 68 | 3 | 3.0848 | 3.185 | 0.000 | (0;000) | ✗ | 06/10/16 |
| LiNbO3 | ICSD | 169697 | R3c (161) | ✗ | 10 | 68 | 3 | 2.9964 | 3.103 | 0.000 | (0;000) | ✗ | 06/10/16 |
| LiNbO3 | ICSD | 247734 | R3c (161) | ✗ | 10 | 68 | 3 | 3.7912 | 3.902 | 0.000 | (0;000) | ✗ | 06/10/16 |
| LiNbO3 | ICSD | 28294 | R3c (161) | ✗ | 10 | 68 | 3 | 3.4374 | 3.461 | 0.000 | (0;000) | ✗ | 06/10/16 |
| LiNbO3 | ICSD | 35014 | R3c (161) | ✗ | 10 | 68 | 3 | 3.5503 | 3.611 | 0.000 | (0;000) | ✗ | 06/10/16 |
| LiNbO3 | ICSD | 415526 | R3c (161) | ✗ | 10 | 68 | 3 | 3.5351 | 3.564 | 0.000 | (0;000) | ✗ | 06/10/16 |
| LiNbO3 | ICSD | 61118 | R3c (161) | ✗ | 10 | 68 | 3 | 3.5511 | 3.607 | 0.000 | (0;000) | ✗ | 06/10/16 |
| LiNbO3 | ICSD | 90743 | R-3c (167) | ✔ | 10 | 68 | 3 | 2.6599 | 2.693 | 0.000 | (0;000) | ✗ | 06/10/16 |
| CdSe | ICSD | 181026 | Fm-3m (225) | ✔ | 2 | 18 | 3 | 0.0 | 1.749 | 0.105 | (0;000) | ✗ | 27/01/17 |
| LiNbO3 | ICSD | 94492 | R3c (161) | ✗ | 10 | 68 | 3 | 3.5371 | 3.599 | 0.000 | (0;000) | ✗ | 06/10/16 |
| LiReO3 | ICSD | 35012 | R3c (161) | ✗ | 10 | 72 | 3 | 0.0 | 0.000 | 0.563 | (0;000) | ✔ | 05/12/16 |
| LiTaO3 | ICSD | 108874 | R3c (161) | ✗ | 10 | 68 | 3 | 3.7915 | 3.820 | 0.000 | (0;000) | ✗ | 06/10/16 |
| LiTaO3 | ICSD | 164259 | R3c (161) | ✗ | 10 | 68 | 3 | 3.8017 | 3.828 | 0.000 | (0;000) | ✗ | 06/10/16 |
| LiTaO3 | ICSD | 84226 | R3c (161) | ✗ | 10 | 68 | 3 | 3.4507 | 3.498 | 0.000 | (0;000) | ✗ | 06/10/16 |
| LiTaO3 | ICSD | 84579 | R3c (161) | ✗ | 10 | 68 | 3 | 3.7989 | 3.825 | 0.000 | (0;000) | ✗ | 06/10/16 |
| LiTaO3 | ICSD | 9537 | R3c (161) | ✗ | 10 | 68 | 3 | 3.8149 | 3.837 | 0.000 | (0;000) | ✗ | 06/10/16 |
| LiTaO3 | ICSD | 9540 | R3c (161) | ✗ | 10 | 68 | 3 | 3.199 | 3.330 | 0.000 | (0;000) | ✗ | 06/10/16 |
| SrLiP | ICSD | 56443 | P-6m2 (187) | ✗ | 3 | 18 | 1 | 0.3973 | 0.955 | 0.000 | (0;000) | ✔ | 06/10/16 |
| LiZnSb | ICSD | 42064 | P6_3mc (186) | ✗ | 6 | 40 | 3 | 0.131 | 0.153 | 0.000 | (0;000) | ✔ | 06/10/16 |
| BAs | ICSD | 181292 | F-43m (216) | ✗ | 2 | 8 | 3 | 1.0744 | 3.121 | 0.000 | (0;000) | ✗ | 06/10/16 |
| LiZnSb | ICSD | 642350 | P6_3mc (186) | ✗ | 6 | 40 | 3 | 0.131 | 0.153 | 0.000 | (0;000) | ✔ | 06/10/16 |
| SnS | ICSD | 52107 | Fm-3m (225) | ✔ | 2 | 20 | 3 | 0.0 | 0.104 | 0.037 | (0;000) | ✗ | 27/01/17 |
| WS2 | ICSD | 202367 | R3m (160) | ✗ | 3 | 26 | 2 | 0.8802 | 1.635 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Li2MgSi | ICSD | 181255 | F-43m (216) | ✗ | 4 | 20 | 3 | 0.1016 | 2.053 | 0.000 | (0;000) | ✔ | 06/10/16 |
| SrS3 | ICSD | 23638 | Cc2e (41) | ✗ | 8 | 56 | 1 | 1.0789 | 1.079 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Li2SiO3 | ICSD | 100402 | Ccm2_1 (36) | ✗ | 12 | 56 | 1 | 5.3828 | 5.687 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Li2SiO3 | ICSD | 16626 | Ccm2_1 (36) | ✗ | 12 | 56 | 1 | 4.9814 | 5.208 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Li2SiO3 | ICSD | 28192 | Ccm2_1 (36) | ✗ | 12 | 56 | 2 | 5.2008 | 5.421 | 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 |
| Li2ZrO3 | ICSD | 31941 | Cc (9) | ✗ | 12 | 56 | 3 | 3.6749 | 3.930 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Na3Li3N2 | ICSD | 92312 | Pm (6) | ✗ | 8 | 46 | 2 | 0.0971 | 0.370 | 0.000 | (0;000) | ✔ | 06/10/16 |
| NaLi5N2 | ICSD | 92314 | Pm (6) | ✗ | 8 | 34 | 1 | 0.0 | 0.133 | 0.003 | (0;000) | ✔ | 06/10/16 |
| TlBr | ICSD | 109144 | Cmcm (63) | ✔ | 4 | 40 | 2 | 1.8054 | 1.828 | 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 |
| PdBr2 | ICSD | 27443 | C2/c (15) | ✔ | 6 | 64 | 1 | 0.509 | 0.945 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Mg2PN3 | ICSD | 27229 | Cmc2_1 (36) | ✗ | 12 | 80 | 3 | 3.1755 | 3.176 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Mg2PN3 | ICSD | 50224 | Cmc2_1 (36) | ✗ | 12 | 80 | 3 | 3.7075 | 4.301 | 0.000 | (0;000) | ✗ | 06/10/16 |
| TaTl3S4 | ICSD | 16571 | I-43m (217) | ✗ | 8 | 76 | 1 | 1.8689 | 2.059 | 0.000 | (0;000) | ✗ | 06/10/16 |
| SiAs | ICSD | 153457 | C2/m (12) | ✔ | 12 | 54 | 3 | 0.8022 | 0.969 | 0.000 | (0;000) | ✗ | 30/01/17 |
| ZnSe | ICSD | 162755 | F-43m (216) | ✗ | 2 | 18 | 3 | 1.1452 | 1.145 | 0.000 | (0;000) | ✗ | 06/10/16 |
| AgAsSe2 | COD | 1509200 | R-3m (166) | ✔ | 4 | 28 | 3 | 0.0 | 0.692 | 0.029 | (0;000) | ✗ | 05/01/17 |
| MgGeP2 | ICSD | 182369 | I-42d (122) | ✗ | 8 | 48 | 3 | 1.4973 | 1.529 | 0.000 | (0;000) | ✗ | 07/10/16 |
| HgBr2 | ICSD | 36158 | Ccm2_1 (36) | ✗ | 6 | 52 | 2 | 2.1612 | 2.218 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Na3Li3N2 | ICSD | 92311 | P-4m2 (115) | ✗ | 8 | 46 | 3 | 2.7879 | 2.788 | 0.000 | (0;000) | ✗ | 07/10/16 |
| As4C3 | ICSD | 163831 | P-42m (111) | ✗ | 7 | 32 | 3 | 0.0 | 0.031 | 0.179 | (0;000) | ✔ | 04/10/16 |