Plotting...
| ▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▴ met. | ▹ ν | wcc | ▹ updated |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| KNbO3 | ICSD | 9533 | C2mm (38) | ✗ | 5 | 40 | 3 | 2.0831 | 2.916 | 0.000 | (0;000) | ✗ | 06/10/16 |
| CaClF | COD | 9011173 | P4/nmm (129) | ✔ | 6 | 48 | 1 | 5.6094 | 5.609 | 0.000 | (0;000) | ✗ | 27/01/17 |
| NiP2 | COD | 1526196 | C2/c (15) | ✔ | 6 | 40 | 3 | 0.5308 | 0.614 | 0.000 | (0;000) | ✗ | 27/01/17 |
| CaHCl | COD | 9009165 | P4/nmm (129) | ✔ | 6 | 36 | 1 | 4.3405 | 4.341 | 0.000 | (0;000) | ✗ | 27/01/17 |
| 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 |
| SnS | ICSD | 79374 | C2me (39) | ✗ | 4 | 40 | 2 | 1.0723 | 1.072 | 0.000 | (0;000) | ✗ | 06/10/16 |
| SiPt | ICSD | 248491 | Pmnb (62) | ✔ | 8 | 56 | 1 | 0.0138 | 0.018 | 0.000 | (0;000) | ✗ | 06/10/16 |
| KSnSb | ICSD | 40816 | P6_3mc (186) | ✗ | 6 | 56 | 1 | 0.3258 | 0.378 | 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 |
| CaCrO4 | COD | 1010939 | I4_1/amd (141) | ✔ | 12 | 96 | 1 | 2.8326 | 2.833 | 0.000 | (0;000) | ✗ | 27/01/17 |
| K2PbO3 | ICSD | 22063 | Cmc2_1 (36) | ✗ | 12 | 100 | 1 | 0.9829 | 0.983 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Cs2CaF4 | ICSD | 82616 | I4/mmm (139) | ✔ | 7 | 56 | 1 | 6.3925 | 6.507 | 0.000 | (0;000) | ✗ | 27/01/17 |
| K2Sn2O3 | ICSD | 2216 | R3 (146) | ✗ | 7 | 64 | 2 | 0.8749 | 0.875 | 0.000 | (0;000) | ✗ | 06/10/16 |
| BP | ICSD | 181291 | F-43m (216) | ✗ | 2 | 8 | 3 | 1.2188 | 3.369 | 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 |
| K3SbS4 | ICSD | 41895 | I-43m (217) | ✗ | 8 | 56 | 1 | 2.2119 | 2.258 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Ca(CuS)2 | COD | 4001658 | P-3m1 (164) | ✔ | 5 | 44 | 2 | 1.0638 | 1.064 | 0.000 | (0;000) | ✗ | 27/01/17 |
| CaF2 | ICSD | 656449 | Pnma (62) | ✔ | 12 | 96 | 1 | 8.4981 | 8.498 | 0.000 | (0;000) | ✗ | 27/01/17 |
| KCaF3 | ICSD | 154074 | Pm-3m (221) | ✔ | 5 | 40 | 1 | 6.2019 | 6.356 | 0.000 | (0;000) | ✗ | 27/01/17 |
| LiSi2N3 | ICSD | 34118 | Ccm2_1 (36) | ✗ | 12 | 52 | 3 | 4.9582 | 5.231 | 0.000 | (0;000) | ✗ | 06/10/16 |
| RbCaF3 | COD | 1530112 | Pm-3m (221) | ✔ | 5 | 40 | 1 | 6.635 | 6.752 | 0.000 | (0;000) | ✗ | 27/01/17 |
| CaH2F4 | ICSD | 419144 | Fddd (70) | ✔ | 14 | 80 | 1 | 7.8159 | 7.816 | 0.000 | (0;000) | ✗ | 27/01/17 |
| CaPdF4 | ICSD | 32674 | I4/mcm (140) | ✔ | 12 | 112 | 1 | 1.0496 | 1.050 | 0.000 | (0;000) | ✗ | 27/01/17 |
| CaZnF4 | COD | 1529060 | I4_1/a (88) | ✔ | 12 | 100 | 1 | 5.3128 | 5.313 | 0.000 | (0;000) | ✗ | 27/01/17 |
| CaPbF6 | ICSD | 25522 | Fm-3m (225) | ✔ | 8 | 66 | 3 | 3.1951 | 3.195 | 0.000 | (0;000) | ✗ | 27/01/17 |
| CaPdF6 | ICSD | 26164 | R-3 (148) | ✔ | 8 | 70 | 1 | 2.28 | 2.280 | 0.000 | (0;000) | ✗ | 27/01/17 |
| CaPtF6 | ICSD | 37443 | R-3 (148) | ✔ | 8 | 62 | 1 | 2.8543 | 2.877 | 0.000 | (0;000) | ✗ | 27/01/17 |
| CaSiF6 | ICSD | 183914 | R-3 (148) | ✔ | 8 | 56 | 1 | 7.7957 | 7.796 | 0.000 | (0;000) | ✗ | 27/01/17 |
| ZnS | ICSD | 107611 | R3m (160) | ✗ | 2 | 18 | 3 | 2.1125 | 2.113 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Rb2Te | ICSD | 55115 | Fm-3m (225) | ✔ | 3 | 24 | 1 | 1.7624 | 1.976 | 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 |
| CaSnF6 | ICSD | 35713 | Fm-3m (225) | ✔ | 8 | 66 | 1 | 6.1583 | 6.158 | 0.000 | (0;000) | ✗ | 27/01/17 |
| CaTiF6 | COD | 1533036 | R-3m (166) | ✔ | 8 | 64 | 3 | 3.9477 | 3.948 | 0.000 | (0;000) | ✗ | 27/01/17 |
| LiNbO3 | ICSD | 109458 | R3c (161) | ✗ | 10 | 68 | 3 | 3.5701 | 3.633 | 0.000 | (0;000) | ✗ | 06/10/16 |
| RbTe | ICSD | 83350 | Pbam (55) | ✔ | 8 | 60 | 1 | 0.795 | 0.875 | 0.000 | (0;000) | ✗ | 02/02/17 |
| 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 |
| Ag2CO3 | COD | 1007035 | P2_1/m (11) | ✔ | 12 | 88 | 3 | 0.6496 | 1.356 | 0.000 | (0;000) | ✗ | 27/01/17 |
| ZnS | ICSD | 108733 | F-43m (216) | ✗ | 2 | 18 | 3 | 2.0623 | 2.062 | 0.000 | (0;000) | ✗ | 06/10/16 |
| ReS2 | ICSD | 650077 | P-1 (2) | ✔ | 12 | 108 | 2 | 0.8083 | 0.813 | 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 |
| ReSe2 | ICSD | 66658 | P-1 (2) | ✔ | 12 | 108 | 2 | 0.6829 | 0.814 | 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 |
| SiAs | ICSD | 153457 | C2/m (12) | ✔ | 12 | 54 | 3 | 0.8022 | 0.969 | 0.000 | (0;000) | ✗ | 30/01/17 |
| BP | ICSD | 615155 | P6_3mc (186) | ✗ | 4 | 16 | 1 | 1.5643 | 1.691 | 0.000 | (0;000) | ✗ | 06/10/16 |
| PdCl2 | ICSD | 421220 | P2/m (10) | ✔ | 6 | 64 | 1 | 0.7541 | 1.005 | 0.000 | (0;000) | ✗ | 27/01/17 |
| ZnS | ICSD | 184810 | P6_3mc (186) | ✗ | 4 | 36 | 3 | 2.4085 | 2.409 | 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 |
| CaGe2O5 | COD | 8103645 | P-1 (2) | ✔ | 16 | 96 | 3 | 2.9045 | 2.938 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Na3N | ICSD | 165994 | Fm-3m (225) | ✔ | 4 | 32 | 3 | 2.0516 | 2.052 | 0.000 | (0;000) | ✗ | 27/01/17 |
| LiNbO3 | ICSD | 247734 | R3c (161) | ✗ | 10 | 68 | 3 | 3.7912 | 3.902 | 0.000 | (0;000) | ✗ | 06/10/16 |
| NaNO3 | COD | 2310364 | R-3c (167) | ✔ | 10 | 64 | 2 | 3.1867 | 3.486 | 0.000 | (0;000) | ✗ | 27/01/17 |
| ZnS | ICSD | 37373 | R3m (160) | ✗ | 6 | 54 | 0 | 2.1341 | 2.134 | 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 |
| NbNO | COD | 1525453 | P2_1/c (14) | ✔ | 12 | 96 | 3 | 1.5582 | 1.705 | 0.000 | (0;000) | ✗ | 27/01/17 |
| SrTaNO2 | ICSD | 411137 | I4/mcm (140) | ✔ | 10 | 80 | 3 | 0.3862 | 0.386 | 0.000 | (0;000) | ✗ | 27/01/17 |
| SN | ICSD | 37353 | P2_1/c (14) | ✔ | 8 | 44 | 1 | 2.8674 | 3.081 | 0.000 | (0;000) | ✗ | 27/01/17 |
| RbNO3 | COD | 2106532 | Pmmn (59) | ✔ | 10 | 64 | 1 | 3.2649 | 3.265 | 0.000 | (0;000) | ✗ | 27/01/17 |
| N2 | COD | 9008571 | Pa3 (205) | ✔ | 8 | 40 | 1 | 7.8876 | 7.909 | 0.000 | (0;000) | ✗ | 27/01/17 |
| N2 | COD | 9012475 | P4_2/mnm (136) | ✔ | 4 | 20 | 1 | 7.1756 | 7.385 | 0.000 | (0;000) | ✗ | 27/01/17 |
| N2 | COD | 9012477 | P6_3/mmc (194) | ✔ | 4 | 20 | 1 | 6.0626 | 6.531 | 0.000 | (0;000) | ✗ | 27/01/17 |
| LiNbO3 | ICSD | 35014 | R3c (161) | ✗ | 10 | 68 | 3 | 3.5503 | 3.611 | 0.000 | (0;000) | ✗ | 06/10/16 |
| TaNO | COD | 1525454 | P2_1/c (14) | ✔ | 12 | 96 | 3 | 1.9538 | 2.162 | 0.000 | (0;000) | ✗ | 27/01/17 |
| TaNO | COD | 1528855 | C2/m (12) | ✔ | 12 | 96 | 3 | 2.3632 | 2.515 | 0.000 | (0;000) | ✗ | 27/01/17 |
| 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 |
| AgCNO | ICSD | 23832 | Cmcm (63) | ✔ | 8 | 52 | 3 | 2.1874 | 2.631 | 0.000 | (0;000) | ✗ | 27/01/17 |
| SrS2 | ICSD | 642 | I4/mcm (140) | ✔ | 6 | 44 | 1 | 1.3022 | 2.079 | 0.000 | (0;000) | ✗ | 27/01/17 |
| PdCl2 | ICSD | 421221 | P2_1/c (14) | ✔ | 6 | 64 | 2 | 0.6974 | 1.132 | 0.000 | (0;000) | ✗ | 27/01/17 |
| SiS2 | ICSD | 16952 | I-42d (122) | ✗ | 6 | 32 | 3 | 2.9532 | 3.090 | 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 |
| AgCNO | ICSD | 260378 | Pmmn (59) | ✔ | 8 | 52 | 3 | 1.449 | 1.655 | 0.000 | (0;000) | ✗ | 27/01/17 |
| AgCO2 | ICSD | 109600 | P2_1/c (14) | ✔ | 16 | 108 | 3 | 0.9917 | 1.322 | 0.000 | (0;000) | ✗ | 27/01/17 |
| AgCO2 | COD | 2010419 | P2_1/c (14) | ✔ | 16 | 108 | 3 | 2.5594 | 2.628 | 0.000 | (0;000) | ✗ | 27/01/17 |
| LiNbO3 | ICSD | 94492 | R3c (161) | ✗ | 10 | 68 | 3 | 3.5371 | 3.599 | 0.000 | (0;000) | ✗ | 06/10/16 |
| CaH2 | ICSD | 157943 | P6_3/mmc (194) | ✔ | 6 | 24 | 1 | 1.1892 | 3.109 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Ca(HO)2 | COD | 9000113 | P-3m1 (164) | ✔ | 5 | 24 | 1 | 4.3495 | 4.350 | 0.000 | (0;000) | ✗ | 27/01/17 |
| CaH2 | COD | 4103660 | Pnma (62) | ✔ | 12 | 48 | 1 | 3.0674 | 3.755 | 0.000 | (0;000) | ✗ | 27/01/17 |
| YN | COD | 9008768 | Fm-3m (225) | ✔ | 2 | 16 | 3 | 0.1535 | 0.511 | 0.000 | (0;000) | ✗ | 27/01/17 |
| SnS2 | ICSD | 43003 | P6_3mc (186) | ✗ | 6 | 52 | 2 | 1.2053 | 1.498 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Sb2Ru | ICSD | 42608 | Pmnn (58) | ✔ | 6 | 52 | 3 | 0.0682 | 0.627 | 0.000 | (0;000) | ✗ | 06/10/16 |
| LiTaO3 | ICSD | 108874 | R3c (161) | ✗ | 10 | 68 | 3 | 3.7915 | 3.820 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Rb2CaH4 | ICSD | 65196 | I4/mmm (139) | ✔ | 7 | 32 | 1 | 3.3079 | 3.308 | 0.000 | (0;000) | ✗ | 27/01/17 |
| LiTaO3 | ICSD | 164259 | R3c (161) | ✗ | 10 | 68 | 3 | 3.8017 | 3.828 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Te2Ru | ICSD | 106001 | Pmnn (58) | ✔ | 6 | 56 | 3 | 0.2399 | 1.040 | 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 |
| CaHgO2 | ICSD | 80717 | R-3m (166) | ✔ | 4 | 34 | 2 | 2.556 | 2.950 | 0.000 | (0;000) | ✗ | 27/01/17 |
| LiTaO3 | ICSD | 84579 | R3c (161) | ✗ | 10 | 68 | 3 | 3.7989 | 3.825 | 0.000 | (0;000) | ✗ | 06/10/16 |
| BSb | ICSD | 184571 | F-43m (216) | ✗ | 2 | 8 | 3 | 0.6393 | 2.485 | 0.000 | (0;000) | ✗ | 06/10/16 |
| RbSbO2 | ICSD | 411216 | C2/c (15) | ✔ | 8 | 52 | 1 | 2.2136 | 2.222 | 0.000 | (0;000) | ✗ | 27/01/17 |
| RbScO2 | ICSD | 31959 | R-3m (166) | ✔ | 4 | 32 | 2 | 3.1509 | 3.502 | 0.000 | (0;000) | ✗ | 27/01/17 |
| RbScO2 | COD | 1528203 | P6_3/mmc (194) | ✔ | 8 | 64 | 2 | 3.4955 | 3.922 | 0.000 | (0;000) | ✗ | 27/01/17 |
| RbTlO2 | ICSD | 33554 | R-3m (166) | ✔ | 4 | 34 | 2 | 1.027 | 1.160 | 0.000 | (0;000) | ✗ | 27/01/17 |
| RbYO2 | ICSD | 49651 | R-3m (166) | ✔ | 4 | 32 | 3 | 3.6441 | 3.794 | 0.000 | (0;000) | ✗ | 27/01/17 |
| ZnCl2 | ICSD | 15916 | I-42d (122) | ✗ | 6 | 52 | 3 | 3.8632 | 3.863 | 0.000 | (0;000) | ✗ | 06/10/16 |