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| ▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▴ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| K2BaCdSb2 | ICSD | 422272 | Pmc2_1 (26) | ✗ | 12 | 100 | 1 | 0.1098 | 0.117 | 0.000 | (0;000) | ✔ | 21/03/17 |
| BaGeO3 | ICSD | 23925 | P2_12_12_1 (19) | ✗ | 20 | 128 | 1 | 3.833 | 3.835 | 0.000 | (0;000) | ✗ | 21/03/17 |
| BaI2 | ICSD | 36210 | P-62m (189) | ✗ | 9 | 72 | 1 | 2.639 | 2.639 | 0.000 | (0;000) | ✗ | 21/03/17 |
| MnCo(BiO3)2 | ICSD | 153856 | C2 (5) | ✗ | 20 | 196 | 3 | 0.0 | 0.001 | 0.519 | ? | ✗ | 21/03/17 |
| Bi2Pd3S2 | ICSD | 417634 | I2_13 (199) | ✗ | 14 | 192 | 3 | 0.0 | 0.000 | 0.820 | ? | ✗ | 21/03/17 |
| KBi(PSe3)2 | ICSD | 90153 | P2_1 (4) | ✗ | 20 | 140 | 3 | 1.2488 | 1.327 | 0.000 | (0;000) | ✗ | 21/03/17 |
| NiBiSe | ICSD | 616878 | P2_13 (198) | ✗ | 12 | 124 | 3 | 0.0 | 0.000 | 0.635 | ? | ✗ | 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 |
| P3BrCl14 | ICSD | 80214 | I4 (79) | ✗ | 18 | 120 | 1 | 1.8798 | 1.958 | 0.000 | (0;000) | ✗ | 21/03/17 |
| Ba4NaCu(CO5)2 | ICSD | 80606 | I-42m (121) | ✗ | 18 | 128 | 1 | 1.1718 | 1.606 | 0.000 | (0;000) | ✗ | 21/03/17 |
| SrCa(CO3)2 | ICSD | 201461 | Pmc2_1 (26) | ✗ | 20 | 128 | 1 | 4.2035 | 4.204 | 0.000 | (0;000) | ✗ | 21/03/17 |
| CaMg3(CO3)4 | COD | 1000052 | R32 (155) | ✗ | 20 | 128 | 3 | 4.9206 | 4.930 | 0.000 | (0;000) | ✗ | 21/03/17 |
| FeHgC4(SN)4 | ICSD | 87888 | I-4 (82) | ✗ | 14 | 80 | 3 | 0.0 | 0.005 | 0.899 | ? | ✗ | 21/03/17 |
| CsMnCr(CN)6 | ICSD | 56602 | F-43m (216) | ✗ | 15 | 92 | 3 | 0.0 | 0.000 | 0.891 | ? | ✗ | 21/03/17 |
| FeNi2(CN)6 | COD | 1010373 | F-43m (216) | ✗ | 15 | 82 | 3 | 0.0 | 0.000 | 0.502 | ? | ✗ | 21/03/17 |
| CdCu2GeS4 | ICSD | 26150 | Pmn2_1 (31) | ✗ | 16 | 124 | 3 | 0.6433 | 0.644 | 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 |
| CdI2 | ICSD | 108917 | P3m1 (156) | ✗ | 18 | 156 | 1 | 1.9965 | 2.176 | 0.000 | (0;000) | ✗ | 22/03/17 |
| CdI2 | ICSD | 42198 | P6_3mc (186) | ✗ | 12 | 104 | 1 | 1.983 | 2.174 | 0.000 | (0;000) | ✗ | 22/03/17 |
| H2CN2 | COD | 2008559 | Cc (9) | ✗ | 20 | 64 | 1 | 5.2613 | 5.262 | 0.000 | (0;000) | ✗ | 22/03/17 |
| H4CSN2 | ICSD | 2400 | Pmc2_1 (26) | ✗ | 16 | 48 | 1 | 2.64 | 3.019 | 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 |
| KTcCl3 | ICSD | 63512 | Cc (9) | ✗ | 20 | 180 | 1 | 1.3118 | 0.162 | 1.000 | (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 |
| ClO3 | ICSD | 61334 | Cc (9) | ✗ | 16 | 100 | 1 | 1.0463 | 1.055 | 0.000 | (0;000) | ✗ | 22/03/17 |
| Cs2CoSiO4 | ICSD | 93878 | Cmc2_1 (36) | ✗ | 16 | 126 | 3 | 0.0 | 0.000 | 0.720 | ? | ✗ | 22/03/17 |
| Na2CoGeO4 | ICSD | 200680 | Pc (7) | ✗ | 16 | 126 | 3 | 0.0 | 0.000 | 0.734 | ? | ✗ | 22/03/17 |
| LiAlGe | COD | 2014790 | F-43m (216) | ✗ | 3 | 10 | 3 | 0.0 | 1.319 | 0.042 | (0;000) | ✔ | 15/02/17 |
| FeAgS2 | COD | 1509337 | I-42d (122) | ✗ | 8 | 62 | 3 | 0.0 | 0.000 | 0.737 | ? | ✗ | 15/02/17 |
| AgI | COD | 9011694 | P6mm (183) | ✗ | 2 | 18 | 1 | 0.0 | 0.240 | 0.249 | (0;000) | ✔ | 15/02/17 |
| BaAl2B2O7 | ICSD | 409171 | R32 (155) | ✗ | 12 | 64 | 2 | 4.8336 | 4.843 | 0.000 | (0;000) | ✗ | 15/02/17 |
| Y3Al3NiGe2 | ICSD | 76297 | P-62m (189) | ✗ | 9 | 60 | 3 | 0.0 | 0.000 | 0.624 | ? | ✗ | 15/02/17 |
| Al5Mo | COD | 1522874 | P6_322 (182) | ✗ | 12 | 58 | 3 | 0.0 | 0.001 | 0.816 | ? | ✗ | 15/02/17 |
| BeAlB | ICSD | 43828 | F-43m (216) | ✗ | 3 | 10 | 3 | 0.0 | 2.310 | 0.095 | (0;000) | ✔ | 15/02/17 |
| Al(NF2)3 | COD | 9014698 | F-43m (216) | ✗ | 10 | 60 | 1 | 0.0 | 0.000 | 0.714 | ? | ✗ | 15/02/17 |
| LiAlSi | ICSD | 413257 | F-43m (216) | ✗ | 3 | 10 | 3 | 0.0 | 1.721 | 0.008 | (0;000) | ✔ | 15/02/17 |
| AlPO4 | COD | 1010142 | I-4 (82) | ✗ | 6 | 32 | 3 | 2.4343 | 2.620 | 0.000 | (0;000) | ✗ | 15/02/17 |
| LiScAs2O7 | ICSD | 161499 | C2 (5) | ✗ | 11 | 66 | 3 | 4.194 | 4.317 | 0.000 | (0;000) | ✗ | 15/02/17 |
| Ca2BAsO8 | COD | 9000094 | I-4 (82) | ✗ | 12 | 76 | 1 | 0.0 | 0.005 | 0.486 | ? | ✗ | 15/02/17 |
| Li3AsO4 | ICSD | 75927 | Pmn2_1 (31) | ✗ | 16 | 76 | 1 | 4.7571 | 4.821 | 0.000 | (0;000) | ✗ | 15/02/17 |
| AsPd5 | ICSD | 44042 | C2 (5) | ✗ | 12 | 190 | 3 | 0.0 | 0.004 | 0.719 | ? | ✗ | 15/02/17 |
| Li2BiAu | COD | 1510601 | F-43m (216) | ✗ | 4 | 32 | 3 | 0.0 | 0.000 | 0.249 | (1;000) | ✔ | 15/02/17 |
| Li2GaAu | COD | 1510151 | F-43m (216) | ✗ | 4 | 30 | 3 | 0.0 | 0.116 | 0.858 | ? | ✗ | 15/02/17 |
| YNi4Au | ICSD | 612233 | F-43m (216) | ✗ | 6 | 62 | 3 | 0.0 | 0.009 | 0.950 | ? | ✗ | 15/02/17 |
| B2O3 | COD | 1510796 | P3_121 (152) | ✗ | 15 | 72 | 3 | 6.5637 | 6.789 | 0.000 | (0;000) | ✗ | 15/02/17 |
| BaBePO4F | ICSD | 200922 | P1 (1) | ✗ | 16 | 100 | 1 | 6.2132 | 6.473 | 0.000 | (0;000) | ✗ | 15/02/17 |
| BaCo2P2H2O9 | ICSD | 84830 | C2 (5) | ✗ | 16 | 110 | 2 | 0.0 | 0.007 | 0.518 | ? | ✗ | 15/02/17 |
| Ba(Si3N4)2 | ICSD | 417444 | Imm2 (44) | ✗ | 15 | 74 | 3 | 3.1372 | 3.321 | 0.000 | (0;000) | ✗ | 15/02/17 |
| KBe2BO3F2 | ICSD | 77277 | R32 (155) | ✗ | 9 | 52 | 1 | 6.2765 | 6.286 | 0.000 | (0;000) | ✗ | 15/02/17 |
| Be4TeO7 | COD | 2106455 | F-43m (216) | ✗ | 12 | 64 | 1 | 1.6716 | 1.672 | 0.000 | (0;000) | ✗ | 15/02/17 |
| Be(HO)2 | COD | 9014803 | P2_12_12_1 (19) | ✗ | 20 | 72 | 1 | 5.5045 | 5.505 | 0.000 | (0;000) | ✗ | 15/02/17 |
| NbFeB | COD | 1511130 | P-62m (189) | ✗ | 9 | 72 | 3 | 0.0 | 0.000 | 0.809 | ? | ✗ | 15/02/17 |
| LiBH4 | ICSD | 245569 | P6_3mc (186) | ✗ | 12 | 20 | 1 | 7.2544 | 7.254 | 0.000 | (0;000) | ✗ | 15/02/17 |
| BH6N | ICSD | 237078 | Cmc2_1 (36) | ✗ | 16 | 28 | 1 | 5.397 | 5.563 | 0.000 | (0;000) | ✗ | 15/02/17 |
| ZrCoBi | ICSD | 107120 | F-43m (216) | ✗ | 3 | 36 | 3 | 0.9493 | 1.553 | 0.000 | (0;000) | ✗ | 15/02/17 |
| K2LiBO3 | ICSD | 60949 | C2 (5) | ✗ | 14 | 84 | 1 | 3.8165 | 3.823 | 0.000 | (0;000) | ✗ | 15/02/17 |
| BN | COD | 1010602 | P-6m2 (187) | ✗ | 4 | 16 | 2 | 4.3937 | 4.522 | 0.000 | (0;000) | ✗ | 15/02/17 |
| H4BrN | ICSD | 43300 | P-43m (215) | ✗ | 6 | 16 | 1 | 4.0345 | 4.035 | 0.000 | (0;000) | ✗ | 15/02/17 |
| LiH3C2O5 | ICSD | 246786 | P1 (1) | ✗ | 11 | 44 | 1 | 3.3618 | 3.471 | 0.000 | (0;000) | ✗ | 15/02/17 |
| H4C3O2 | COD | 2003673 | P1 (1) | ✗ | 18 | 56 | 1 | 3.6547 | 3.754 | 0.000 | (0;000) | ✗ | 15/02/17 |
| LiB(CN)4 | COD | 4308584 | P-43m (215) | ✗ | 10 | 42 | 1 | 6.563 | 6.689 | 0.000 | (0;000) | ✗ | 15/02/17 |
| PH8C4N3O4 | COD | 2221677 | P1 (1) | ✗ | 20 | 68 | 1 | 2.9893 | 3.073 | 0.000 | (0;000) | ✗ | 15/02/17 |
| H4C9OF4 | COD | 7204880 | P1 (1) | ✗ | 18 | 74 | 1 | 3.4283 | 3.555 | 0.000 | (0;000) | ✗ | 15/02/17 |
| CaFeO2 | ICSD | 246244 | P-42_1m (113) | ✗ | 8 | 60 | 1 | 0.0 | 0.001 | 0.641 | ? | ✗ | 15/02/17 |
| NaCaSiHO4 | ICSD | 97911 | P2_1 (4) | ✗ | 16 | 96 | 2 | 4.5756 | 4.578 | 0.000 | (0;000) | ✗ | 15/02/17 |
| CaMgNi4 | ICSD | 107419 | F-43m (216) | ✗ | 6 | 60 | 3 | 0.0 | 0.002 | 0.744 | ? | ✗ | 15/02/17 |
| CaSi3Pt | ICSD | 181448 | I4mm (107) | ✗ | 5 | 32 | 3 | 0.0 | 0.013 | 0.420 | ? | ✗ | 15/02/17 |
| CuCSN | ICSD | 24372 | R3m (160) | ✗ | 4 | 26 | 3 | 2.1878 | 2.361 | 0.000 | (0;000) | ✗ | 15/02/17 |
| CdClO | COD | 9016472 | P6_3mc (186) | ✗ | 6 | 50 | 2 | 0.0 | 0.000 | 0.749 | ? | ✗ | 15/02/17 |
| CdCuSb | ICSD | 52796 | F-43m (216) | ✗ | 3 | 28 | 3 | 0.0 | 0.000 | 0.318 | (1;000) | ✔ | 15/02/17 |
| Cd(HO)2 | ICSD | 40185 | Cm (8) | ✗ | 10 | 52 | 3 | 0.0243 | 0.237 | 0.000 | (0;000) | ✔ | 15/02/17 |
| Na2CdPb | COD | 7221226 | F-43m (216) | ✗ | 4 | 44 | 3 | 0.0 | 0.000 | 0.323 | (1;000) | ✔ | 15/02/17 |
| RbSrCO3F | ICSD | 262233 | P-6m2 (187) | ✗ | 7 | 48 | 1 | 4.2648 | 4.268 | 0.000 | (0;000) | ✗ | 15/02/17 |
| H2CO2 | ICSD | 151248 | Pna2_1 (33) | ✗ | 20 | 72 | 1 | 4.7471 | 4.747 | 0.000 | (0;000) | ✗ | 15/02/17 |
| H5CNO2 | ICSD | 151222 | Pc (7) | ✗ | 18 | 52 | 1 | 5.1261 | 5.200 | 0.000 | (0;000) | ✗ | 15/02/17 |
| NClOF4 | ICSD | 50216 | I4cm (108) | ✗ | 14 | 92 | 1 | 1.8133 | 1.813 | 0.000 | (0;000) | ✗ | 15/02/17 |
| HCl | COD | 9016437 | Cmc2_1 (36) | ✗ | 4 | 16 | 1 | 5.8258 | 5.826 | 0.000 | (0;000) | ✗ | 15/02/17 |
| Li6PClO5 | ICSD | 421479 | F-43m (216) | ✗ | 13 | 60 | 1 | 5.5125 | 5.513 | 0.000 | (0;000) | ✗ | 15/02/17 |
| NCl | COD | 9016568 | P4mm (99) | ✗ | 2 | 12 | 1 | 0.0 | 0.012 | 0.009 | (0;000) | ✔ | 15/02/17 |
| CO2 | COD | 9015590 | P4_12_12 (92) | ✗ | 12 | 64 | 3 | 5.8337 | 5.985 | 0.000 | (0;000) | ✗ | 15/02/17 |
| MnFeCoGe | ICSD | 186831 | F-43m (216) | ✗ | 4 | 44 | 3 | 0.0 | 0.007 | 0.290 | (0;000) | ✔ | 15/02/17 |
| Mn2InCo | ICSD | 160705 | F-43m (216) | ✗ | 4 | 60 | 3 | 0.0 | 0.010 | 0.731 | ? | ✗ | 15/02/17 |
| NbCoSn | COD | 1525308 | F-43m (216) | ✗ | 3 | 44 | 3 | 0.0 | 0.008 | 0.229 | (0;000) | ✔ | 15/02/17 |
| CrH | ICSD | 76745 | P6_3mc (186) | ✗ | 4 | 30 | 3 | 0.0 | 0.000 | 0.739 | ? | ✗ | 15/02/17 |
| CsLiH4SO5 | ICSD | 200780 | Cm (8) | ✗ | 12 | 52 | 1 | 4.4294 | 4.773 | 0.000 | (0;000) | ✗ | 15/02/17 |
| FeCu2GeS4 | COD | 9012061 | I-42m (121) | ✗ | 8 | 58 | 3 | 0.0 | 0.007 | 0.602 | ? | ✗ | 15/02/17 |
| FeCu2SnS4 | COD | 1011151 | I-42m (121) | ✗ | 8 | 68 | 3 | 0.0 | 0.001 | 0.361 | (1;111) | ✔ | 15/02/17 |
| ZnCu2GeS4 | ICSD | 61693 | I-42m (121) | ✗ | 8 | 62 | 3 | 0.6521 | 0.652 | 0.000 | (0;000) | ✗ | 15/02/17 |
| ZnCu2SnS4 | ICSD | 628893 | I-42m (121) | ✗ | 8 | 72 | 3 | 0.1464 | 0.146 | 0.000 | (0;000) | ✔ | 15/02/17 |
| Cu3Se2 | COD | 1528745 | P-42_1m (113) | ✗ | 10 | 90 | 3 | 0.0 | 0.000 | 0.903 | ? | ✗ | 15/02/17 |
| InFe2CuSe4 | ICSD | 160047 | I-42m (121) | ✗ | 8 | 64 | 3 | 0.0 | 0.005 | 0.480 | ? | ✗ | 15/02/17 |
| Zr2CuSb3 | COD | 1526689 | P-4m2 (115) | ✗ | 6 | 34 | 3 | 0.0 | 0.001 | 0.844 | ? | ✗ | 15/02/17 |
| NaV(OF)2 | COD | 1000373 | P2_1 (4) | ✗ | 12 | 96 | 1 | 2.0236 | 2.570 | 0.000 | (0;000) | ✗ | 15/02/17 |
| Sn3PO4F3 | ICSD | 37133 | R3 (146) | ✗ | 11 | 92 | 3 | 3.8127 | 3.853 | 0.000 | (0;000) | ✗ | 15/02/17 |
| Sr3Fe2(OF)4 | ICSD | 262347 | F222 (22) | ✗ | 13 | 98 | 2 | 0.0 | 0.003 | 0.970 | ? | ✗ | 15/02/17 |
| Fe3N | COD | 1011217 | P6_322 (182) | ✗ | 8 | 58 | 3 | 0.0 | 0.000 | 0.743 | ? | ✗ | 15/02/17 |
| Fe3S4 | ICSD | 44885 | R3m (160) | ✗ | 7 | 48 | 2 | 0.0 | 0.008 | 0.769 | ? | ✗ | 15/02/17 |
| NbFeSb | ICSD | 83928 | F-43m (216) | ✗ | 3 | 26 | 3 | 0.5254 | 1.135 | 0.000 | (0;000) | ✗ | 15/02/17 |
| VFeSb | ICSD | 152794 | F-43m (216) | ✗ | 3 | 26 | 3 | 0.0 | 0.312 | 0.218 | (0;000) | ✔ | 15/02/17 |
| NaTeH6O6F | ICSD | 42 | R3 (146) | ✗ | 15 | 64 | 1 | 3.6488 | 3.725 | 0.000 | (0;000) | ✗ | 15/02/17 |