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| ▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▴ met. | ▹ ν | wcc | ▹ updated |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| CsI | ICSD | 61517 | Fm-3m (225) | ✔ | 2 | 16 | 1 | 3.8212 | 3.821 | 0.000 | (0;000) | ✗ | 22/03/17 |
| Cs3NaPb4 | ICSD | 411893 | Cmcm (63) | ✔ | 16 | 184 | 1 | 0.3916 | 0.653 | 0.000 | (0;000) | ✗ | 22/03/17 |
| Cs4KLiGa2F12 | ICSD | 78927 | R-3m (166) | ✔ | 20 | 158 | 1 | 6.6244 | 6.626 | 0.000 | (0;000) | ✗ | 22/03/17 |
| RePbClO4 | COD | 2208194 | Pmn2_1 (31) | ✗ | 14 | 120 | 3 | 3.0966 | 3.176 | 0.000 | (0;000) | ✗ | 22/03/17 |
| Cs2Te3 | ICSD | 53245 | Cmc2_1 (36) | ✗ | 10 | 72 | 1 | 0.2695 | 0.326 | 0.000 | (0;000) | ✔ | 22/03/17 |
| Cs2Se | ICSD | 41687 | Fdd2 (43) | ✗ | 6 | 48 | 1 | 1.3763 | 1.379 | 0.000 | (0;000) | ✗ | 22/03/17 |
| Cs2TeH6SO10 | ICSD | 93016 | R3 (146) | ✗ | 20 | 96 | 2 | 0.2894 | 0.323 | 0.000 | (0;000) | ✔ | 22/03/17 |
| Cs2Zn3S4 | ICSD | 627093 | Ibam (72) | ✔ | 18 | 156 | 2 | 2.9058 | 2.906 | 0.000 | (0;000) | ✗ | 22/03/17 |
| V2Cd2O7 | ICSD | 62081 | C2/m (12) | ✔ | 11 | 92 | 3 | 2.6098 | 2.817 | 0.000 | (0;000) | ✗ | 22/03/17 |
| Cs3Mg2Cl7 | ICSD | 66828 | I4/mmm (139) | ✔ | 12 | 96 | 3 | 4.7144 | 4.868 | 0.000 | (0;000) | ✗ | 22/03/17 |
| MoH2Cl2O3 | ICSD | 25031 | Pmn2_1 (31) | ✗ | 16 | 96 | 2 | 0.8466 | 0.889 | 0.000 | (0;000) | ✗ | 22/03/17 |
| CsSb | COD | 7221397 | P2_12_12_1 (19) | ✗ | 16 | 112 | 1 | 0.5327 | 0.536 | 0.000 | (0;000) | ✗ | 22/03/17 |
| RbSb4F13 | COD | 5910267 | I4/m (87) | ✔ | 18 | 120 | 1 | 2.4717 | 2.485 | 0.000 | (0;000) | ✗ | 22/03/17 |
| Cs5Te3 | ICSD | 34000 | C2/m (12) | ✔ | 16 | 126 | 1 | 0.223 | 0.223 | 0.000 | (0;000) | ✗ | 22/03/17 |
| SiC | ICSD | 38150 | P3m1 (156) | ✗ | 20 | 80 | 3 | 1.999 | 3.114 | 0.000 | (0;000) | ✗ | 22/03/17 |
| CsGaP3HO10 | ICSD | 409692 | C2 (5) | ✗ | 16 | 98 | 3 | 5.0435 | 5.116 | 0.000 | (0;000) | ✗ | 22/03/17 |
| HS2N(O2F)2 | ICSD | 165234 | P2_1 (4) | ✗ | 20 | 112 | 1 | 6.6299 | 6.731 | 0.000 | (0;000) | ✗ | 22/03/17 |
| Cs2PbO2 | ICSD | 2268 | P-1 (2) | ✔ | 20 | 176 | 3 | 1.5836 | 1.598 | 0.000 | (0;000) | ✗ | 22/03/17 |
| K2B(CN)3 | ICSD | 262588 | Fdd2 (43) | ✗ | 18 | 96 | 1 | 2.5094 | 2.511 | 0.000 | (0;000) | ✗ | 21/03/17 |
| S(OF)2 | ICSD | 62968 | P4_12_12 (92) | ✗ | 20 | 128 | 1 | 6.6222 | 6.639 | 0.000 | (0;000) | ✗ | 22/03/17 |
| C | COD | 9012594 | R-3m (166) | ✔ | 14 | 56 | 3 | 4.4247 | 5.344 | 0.000 | (0;000) | ✗ | 22/03/17 |
| CdCu2SnTe4 | ICSD | 656157 | I-42m (121) | ✗ | 8 | 72 | 3 | 0.0068 | 0.021 | 0.000 | (1;000) | ✔ | 22/03/17 |
| Cu2HgGeS4 | ICSD | 94988 | I-42m (121) | ✗ | 8 | 62 | 3 | 0.0465 | 0.047 | 0.000 | (0;000) | ✔ | 22/03/17 |
| Na2CdSnS4 | COD | 7011307 | C2 (5) | ✗ | 8 | 68 | 3 | 2.0139 | 2.014 | 0.000 | (0;000) | ✗ | 22/03/17 |
| CsAu2F7 | ICSD | 152057 | C2/c (15) | ✔ | 20 | 160 | 1 | 2.0658 | 2.094 | 0.000 | (0;000) | ✗ | 21/03/17 |
| Ti4Bi2O11 | COD | 2101260 | C2/m (12) | ✔ | 17 | 144 | 3 | 2.0813 | 2.516 | 0.000 | (0;000) | ✗ | 21/03/17 |
| B4CCl6O | ICSD | 280617 | R3m (160) | ✗ | 12 | 64 | 1 | 4.1136 | 4.192 | 0.000 | (0;000) | ✗ | 22/03/17 |
| LiAlS2 | ICSD | 608360 | Pna2_1 (33) | ✗ | 16 | 72 | 3 | 3.9378 | 3.938 | 0.000 | (0;000) | ✗ | 16/03/17 |
| Ca5B3O9F | ICSD | 69537 | Cm (8) | ✗ | 18 | 120 | 1 | 4.3024 | 4.302 | 0.000 | (0;000) | ✗ | 21/03/17 |
| Sr(BrO3)2 | ICSD | 61158 | Cc (9) | ✗ | 18 | 120 | 1 | 4.2156 | 4.324 | 0.000 | (0;000) | ✗ | 21/03/17 |
| BaS3 | COD | 1010269 | P2_12_12 (18) | ✗ | 16 | 112 | 3 | 0.8913 | 0.979 | 0.000 | (0;000) | ✗ | 21/03/17 |
| RbLiCrO4 | COD | 2100905 | P31c (159) | ✗ | 14 | 100 | 1 | 3.1623 | 3.225 | 0.000 | (0;000) | ✗ | 22/03/17 |
| Al4CO4 | COD | 2310612 | Cmc2_1 (36) | ✗ | 18 | 80 | 3 | 3.8694 | 3.958 | 0.000 | (0;000) | ✗ | 21/03/17 |
| SbBr3 | COD | 1527261 | P2_12_12_1 (19) | ✗ | 16 | 104 | 2 | 2.6249 | 2.908 | 0.000 | (0;000) | ✗ | 21/03/17 |
| RbCS(OF)3 | ICSD | 415817 | P2_1 (4) | ✗ | 18 | 116 | 1 | 5.2115 | 5.219 | 0.000 | (0;000) | ✗ | 22/03/17 |
| SCl | ICSD | 37016 | Fdd2 (43) | ✗ | 16 | 104 | 1 | 2.6979 | 2.765 | 0.000 | (0;000) | ✗ | 22/03/17 |
| PCl3O | COD | 2106202 | Pna2_1 (33) | ✗ | 20 | 128 | 1 | 4.6695 | 4.670 | 0.000 | (0;000) | ✗ | 22/03/17 |
| MgSi(CuS2)2 | ICSD | 425554 | Pmn2_1 (31) | ✗ | 16 | 120 | 3 | 1.7685 | 1.769 | 0.000 | (0;000) | ✗ | 22/03/17 |
| CdI2 | ICSD | 44791 | P-3m1 (164) | ✔ | 3 | 26 | 2 | 2.0667 | 2.319 | 0.000 | (0;000) | ✗ | 22/03/17 |
| ZnCdC4(SeN)4 | COD | 2208502 | I-4 (82) | ✗ | 14 | 84 | 3 | 3.1605 | 3.333 | 0.000 | (0;000) | ✗ | 21/03/17 |
| Cs3CdBr5 | ICSD | 39599 | I4/mcm (140) | ✔ | 18 | 148 | 1 | 3.1932 | 3.193 | 0.000 | (0;000) | ✗ | 21/03/17 |
| Ba4Zr3S10 | ICSD | 72656 | I4/mmm (139) | ✔ | 17 | 112 | 2 | 0.1499 | 0.382 | 0.000 | (0;000) | ✗ | 21/03/17 |
| ZnSi(CuS2)2 | ICSD | 236248 | Pc (7) | ✗ | 16 | 124 | 3 | 1.684 | 1.684 | 0.000 | (0;000) | ✗ | 22/03/17 |
| P4N3Cl11 | ICSD | 71913 | R3 (146) | ✗ | 18 | 112 | 1 | 3.143 | 3.145 | 0.000 | (0;000) | ✗ | 22/03/17 |
| PbCN2 | COD | 2310547 | Pna2_1 (33) | ✗ | 16 | 112 | 2 | 1.6961 | 1.912 | 0.000 | (0;000) | ✗ | 22/03/17 |
| H3C4N3 | COD | 2205937 | Pc (7) | ✗ | 20 | 68 | 1 | 4.3703 | 4.482 | 0.000 | (0;000) | ✗ | 21/03/17 |
| BrNO3 | ICSD | 407765 | P2_12_12_1 (19) | ✗ | 20 | 120 | 1 | 2.25 | 2.269 | 0.000 | (0;000) | ✗ | 21/03/17 |
| NaBrO3 | COD | 2106225 | P2_13 (198) | ✗ | 20 | 136 | 1 | 4.8193 | 4.821 | 0.000 | (0;000) | ✗ | 21/03/17 |
| K3MnCrO8 | ICSD | 26803 | R3m (160) | ✗ | 13 | 104 | 1 | 0.6011 | 0.635 | 0.000 | (0;000) | ✗ | 22/03/17 |
| SiC | COD | 2310588 | R3m (160) | ✗ | 16 | 64 | 3 | 1.6136 | 2.745 | 0.000 | (0;000) | ✗ | 22/03/17 |
| Hg3(SeCl)2 | ICSD | 27400 | I2_13 (199) | ✗ | 14 | 124 | 3 | 2.016 | 2.044 | 0.000 | (0;000) | ✗ | 22/03/17 |
| CaSO4 | COD | 9012207 | C222 (21) | ✗ | 18 | 120 | 1 | 5.7747 | 5.775 | 0.000 | (0;000) | ✗ | 22/03/17 |
| Hg3(SCl)2 | COD | 9011080 | I2_13 (199) | ✗ | 14 | 124 | 3 | 2.0084 | 2.031 | 0.000 | (0;000) | ✗ | 22/03/17 |
| Cu3SbS4 | ICSD | 42672 | Pmn2_1 (31) | ✗ | 16 | 124 | 3 | 0.5599 | 0.560 | 0.000 | (0;000) | ✗ | 22/03/17 |
| FeN3ClO3 | ICSD | 281495 | P6_3mc (186) | ✗ | 16 | 96 | 1 | 1.311 | 1.369 | 0.000 | (0;000) | ✗ | 22/03/17 |
| ScBiO3 | COD | 4123993 | C2 (5) | ✗ | 20 | 176 | 3 | 2.1205 | 2.349 | 0.000 | (0;000) | ✗ | 21/03/17 |
| NaClO3 | COD | 1010513 | P2_13 (198) | ✗ | 20 | 136 | 1 | 1.9432 | 2.031 | 0.000 | (0;000) | ✗ | 22/03/17 |
| CuHgSI | ICSD | 413309 | Pna2_1 (33) | ✗ | 16 | 144 | 3 | 0.7199 | 0.720 | 0.000 | (0;000) | ✗ | 22/03/17 |
| Si5(H2Cl)4 | COD | 4329335 | I-4 (82) | ✗ | 17 | 56 | 2 | 3.7699 | 3.770 | 0.000 | (0;000) | ✗ | 22/03/17 |
| CdI2 | ICSD | 108918 | P3m1 (156) | ✗ | 18 | 156 | 1 | 2.0053 | 2.175 | 0.000 | (0;000) | ✗ | 22/03/17 |
| Sc7CoI12 | ICSD | 202109 | R-3 (148) | ✔ | 20 | 178 | 3 | 0.0753 | 0.150 | 0.000 | (0;000) | ✗ | 22/03/17 |
| CdTeMoO6 | ICSD | 188038 | P-42_1m (113) | ✗ | 18 | 136 | 2 | 3.1805 | 3.284 | 0.000 | (0;000) | ✗ | 22/03/17 |
| NaClO3 | COD | 1010512 | P2_13 (198) | ✗ | 20 | 136 | 1 | 3.1663 | 3.168 | 0.000 | (0;000) | ✗ | 22/03/17 |
| Ba(BS2)2 | COD | 1510637 | Cc (9) | ✗ | 14 | 80 | 1 | 2.6688 | 2.785 | 0.000 | (0;000) | ✗ | 21/03/17 |
| CoSnC4Cl3O4 | ICSD | 69685 | R3 (146) | ✗ | 13 | 92 | 1 | 2.9036 | 2.918 | 0.000 | (0;000) | ✗ | 21/03/17 |
| Cs2LiScCl6 | ICSD | 65734 | R-3m (166) | ✔ | 20 | 148 | 1 | 3.8468 | 3.847 | 0.000 | (0;000) | ✗ | 22/03/17 |
| CdI2 | ICSD | 42210 | P3m1 (156) | ✗ | 18 | 156 | 1 | 1.6622 | 1.903 | 0.000 | (0;000) | ✗ | 22/03/17 |
| Sr2CuClO2 | COD | 2002855 | P3_121 (152) | ✗ | 18 | 150 | 1 | 2.4019 | 2.593 | 0.000 | (0;000) | ✗ | 22/03/17 |
| K2CdSnSe4 | ICSD | 185468 | I-42m (121) | ✗ | 8 | 68 | 1 | 1.761 | 1.761 | 0.000 | (0;000) | ✗ | 22/03/17 |
| Cs2LiVO4 | ICSD | 40219 | Cmc2_1 (36) | ✗ | 16 | 116 | 1 | 3.8248 | 3.850 | 0.000 | (0;000) | ✗ | 22/03/17 |
| KSb4F13 | ICSD | 4049 | I-4 (82) | ✗ | 18 | 120 | 2 | 4.6916 | 4.904 | 0.000 | (0;000) | ✗ | 22/03/17 |
| Cs2Hg3H2I8O | ICSD | 191929 | Cm (8) | ✗ | 16 | 118 | 2 | 1.5244 | 1.526 | 0.000 | (0;000) | ✗ | 22/03/17 |
| ZnCN2 | COD | 2011885 | I-42d (122) | ✗ | 16 | 104 | 3 | 3.5423 | 3.901 | 0.000 | (0;000) | ✗ | 22/03/17 |
| Cs4Au6S5 | COD | 1510578 | P31m (157) | ✗ | 15 | 132 | 2 | 2.2096 | 2.241 | 0.000 | (0;000) | ✗ | 21/03/17 |
| P3BrCl14 | ICSD | 80214 | I4 (79) | ✗ | 18 | 120 | 1 | 1.8798 | 1.958 | 0.000 | (0;000) | ✗ | 21/03/17 |
| Li2CdSnS4 | COD | 4302974 | Pmn2_1 (31) | ✗ | 16 | 112 | 2 | 2.0977 | 2.098 | 0.000 | (0;000) | ✗ | 22/03/17 |
| CdSi(CuTe2)2 | ICSD | 656151 | I-42m (121) | ✗ | 8 | 62 | 3 | 0.0221 | 0.022 | 0.000 | (0;000) | ✔ | 22/03/17 |
| NaClO3 | COD | 1010057 | P2_13 (198) | ✗ | 20 | 136 | 1 | 1.1406 | 1.153 | 0.000 | (0;000) | ✗ | 22/03/17 |
| ZnCl2 | COD | 4343817 | Pna2_1 (33) | ✗ | 12 | 104 | 3 | 3.8314 | 3.832 | 0.000 | (0;000) | ✗ | 22/03/17 |
| CsC | ICSD | 51533 | P-62m (189) | ✗ | 12 | 78 | 3 | 2.1594 | 2.159 | 0.000 | (0;000) | ✗ | 22/03/17 |
| K2SrCdSb2 | ICSD | 422273 | Pmc2_1 (26) | ✗ | 12 | 100 | 1 | 0.2064 | 0.207 | 0.000 | (0;000) | ✔ | 22/03/17 |
| Zn2NCl | ICSD | 425734 | Pna2_1 (33) | ✗ | 16 | 144 | 3 | 2.0638 | 2.072 | 0.000 | (0;000) | ✗ | 22/03/17 |
| C | COD | 9012593 | R-3m (166) | ✔ | 10 | 40 | 3 | 4.5247 | 5.260 | 0.000 | (0;000) | ✗ | 22/03/17 |
| PbF3 | ICSD | 23467 | P-4c2 (116) | ✗ | 16 | 140 | 3 | 0.6313 | 0.631 | 0.000 | (0;000) | ✗ | 22/03/17 |
| BCl(OF2)2 | ICSD | 60080 | Cc (9) | ✗ | 16 | 100 | 1 | 1.6747 | 1.684 | 0.000 | (0;000) | ✗ | 21/03/17 |
| Ba3Y4O9 | ICSD | 87118 | R3 (146) | ✗ | 16 | 128 | 3 | 3.2201 | 3.222 | 0.000 | (0;000) | ✗ | 21/03/17 |
| C4S5O | COD | 2233890 | Pc (7) | ✗ | 20 | 104 | 1 | 1.6485 | 1.711 | 0.000 | (0;000) | ✗ | 21/03/17 |
| GeBi2O5 | COD | 1526265 | Cmc2_1 (36) | ✗ | 16 | 128 | 3 | 2.4247 | 2.535 | 0.000 | (0;000) | ✗ | 21/03/17 |
| BaPd(IO3)4 | COD | 4316840 | P1 (1) | ✗ | 18 | 128 | 1 | 1.911 | 1.964 | 0.000 | (0;000) | ✗ | 21/03/17 |
| SiCl2 | ICSD | 85526 | P2_12_12_1 (19) | ✗ | 12 | 72 | 1 | 2.0261 | 2.091 | 0.000 | (0;000) | ✗ | 22/03/17 |
| P4S5 | ICSD | 1995 | P2_1/m (11) | ✔ | 18 | 100 | 1 | 2.2857 | 2.286 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Ca2Ga2O5 | ICSD | 51545 | Ima2 (46) | ✗ | 18 | 152 | 3 | 2.4015 | 2.402 | 0.000 | (0;000) | ✗ | 21/03/17 |
| As(CN)3 | ICSD | 35330 | C2 (5) | ✗ | 14 | 64 | 2 | 1.6993 | 1.742 | 0.000 | (0;000) | ✗ | 21/03/17 |
| Tl2Au4S3 | COD | 7109280 | Pmmn (59) | ✔ | 18 | 176 | 3 | 0.7914 | 0.791 | 0.000 | (0;000) | ✗ | 21/03/17 |
| BaSn2(HO2)2 | ICSD | 37115 | P2_1 (4) | ✗ | 18 | 128 | 1 | 1.9107 | 2.108 | 0.000 | (0;000) | ✗ | 21/03/17 |
| GaSeBr7 | COD | 8101317 | Pc (7) | ✗ | 18 | 136 | 1 | 2.2271 | 2.259 | 0.000 | (0;000) | ✗ | 21/03/17 |
| NaAg(NO2)2 | ICSD | 200377 | Fdd2 (43) | ✗ | 16 | 108 | 1 | 2.1271 | 2.230 | 0.000 | (0;000) | ✗ | 16/03/17 |
| AlCuTe2 | ICSD | 28735 | I-42d (122) | ✗ | 8 | 52 | 3 | 1.3259 | 1.326 | 0.000 | (0;000) | ✗ | 16/03/17 |
| Rb5Au3O2 | COD | 1510508 | Pbam (55) | ✔ | 20 | 180 | 1 | 0.6586 | 0.689 | 0.000 | (0;000) | ✗ | 21/03/17 |
| Hg2AsCl2 | ICSD | 39930 | C2/m (12) | ✔ | 20 | 172 | 3 | 1.4642 | 1.834 | 0.000 | (0;000) | ✗ | 21/03/17 |