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| ▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▴ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| TaCu3Se4 | ICSD | 156981 | P-43m (215) | ✗ | 8 | 70 | 3 | 1.5486 | 1.963 | 0.000 | (0;000) | ✗ | 06/10/16 |
| KNa2AuO2 | ICSD | 61226 | Pnnm (58) | ✔ | 12 | 100 | 1 | 1.9334 | 1.963 | 0.000 | (0;000) | ✗ | 02/02/17 |
| SiO2 | ICSD | 75669 | P2 (3) | ✗ | 12 | 64 | 3 | 1.7784 | 1.964 | 0.000 | (0;000) | ✗ | 06/10/16 |
| BaPd(IO3)4 | COD | 4316840 | P1 (1) | ✗ | 18 | 128 | 1 | 1.911 | 1.964 | 0.000 | (0;000) | ✗ | 21/03/17 |
| Ti3H2O7 | COD | 4336945 | C2/m (12) | ✔ | 24 | 160 | 3 | 1.9314 | 1.964 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Zn(AuF4)2 | COD | 1510406 | P2_1/c (14) | ✔ | 22 | 180 | 3 | 1.8997 | 1.965 | 0.000 | (0;000) | ✗ | 04/08/17 |
| BaO | COD | 1527735 | P4/nmm (129) | ✔ | 4 | 32 | 3 | 1.9651 | 1.965 | 0.000 | (0;000) | ✗ | 05/01/17 |
| BC2N | ICSD | 93041 | Pmm2 (25) | ✗ | 4 | 16 | 3 | 1.7669 | 1.967 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Na2O | COD | 9009063 | Fm-3m (225) | ✔ | 3 | 24 | 1 | 1.9686 | 1.969 | 0.000 | (0;000) | ✗ | 27/01/17 |
| NbTl3S4 | ICSD | 600246 | I-43m (217) | ✗ | 8 | 76 | 3 | 1.8349 | 1.969 | 0.000 | (0;000) | ✗ | 06/10/16 |
| CdPS3 | ICSD | 620232 | C2/m (12) | ✔ | 10 | 70 | 2 | 1.6575 | 1.969 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Ba2ZnS3 | ICSD | 25554 | Pnma (62) | ✔ | 24 | 200 | 1 | 1.9695 | 1.970 | 0.000 | (0;000) | ✗ | 04/08/17 |
| BaSe | COD | 9008601 | Fm-3m (225) | ✔ | 2 | 16 | 1 | 1.7784 | 1.971 | 0.000 | (0;000) | ✗ | 05/01/17 |
| Cr4AgBiO14 | ICSD | 14234 | I4 (79) | ✗ | 20 | 166 | 3 | 1.9671 | 1.972 | 0.000 | (0;000) | ✗ | 16/03/17 |
| K2OsNCl5 | ICSD | 43729 | Cmc2_1 (36) | ✗ | 18 | 148 | 1 | 1.9726 | 1.973 | 0.000 | (0;000) | ✗ | 22/03/17 |
| SeN | COD | 2310337 | C2/c (15) | ✔ | 16 | 88 | 1 | 1.9008 | 1.974 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Cs2HgO2 | ICSD | 25513 | I4/mmm (139) | ✔ | 5 | 42 | 2 | 1.9742 | 1.974 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Rb2Te | ICSD | 55115 | Fm-3m (225) | ✔ | 3 | 24 | 1 | 1.7624 | 1.976 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Na4W(NO)2 | ICSD | 73101 | P-1 (2) | ✔ | 18 | 172 | 1 | 1.9041 | 1.976 | 0.000 | (0;000) | ✗ | 11/04/17 |
| CsS | COD | 1529661 | Immm (71) | ✔ | 4 | 30 | 1 | 1.7649 | 1.976 | 0.000 | (0;000) | ✗ | 27/01/17 |
| RbAuF4 | COD | 1510144 | I4/mcm (140) | ✔ | 12 | 96 | 1 | 1.9704 | 1.977 | 0.000 | (0;000) | ✗ | 02/02/17 |
| AlBiBr6 | ICSD | 414262 | P-1 (2) | ✔ | 16 | 120 | 2 | 1.9787 | 1.979 | 0.000 | (0;000) | ✗ | 30/01/17 |
| H2PbO2 | ICSD | 20701 | Pnma (62) | ✔ | 20 | 112 | 3 | 1.7355 | 1.979 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Ga2TeS2 | ICSD | 8028 | I4_1md (109) | ✗ | 10 | 88 | 3 | 1.9488 | 1.980 | 0.000 | (0;000) | ✗ | 22/03/17 |
| TiO2 | COD | 9007432 | P4_2/mnm (136) | ✔ | 6 | 48 | 3 | 1.9813 | 1.981 | 0.000 | (0;000) | ✗ | 27/01/17 |
| BiBrO | COD | 9009161 | P4/nmm (129) | ✔ | 6 | 56 | 2 | 1.8229 | 1.982 | 0.000 | (0;000) | ✗ | 05/01/17 |
| K2SeBr6 | COD | 1010627 | Fm-3m (225) | ✔ | 9 | 66 | 2 | 1.6082 | 1.983 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CsCu2ICl2 | ICSD | 60960 | P2_1/m (11) | ✔ | 12 | 104 | 1 | 1.9838 | 1.984 | 0.000 | (0;000) | ✗ | 02/02/17 |
| KH2N | ICSD | 25619 | P2_1/m (11) | ✔ | 8 | 32 | 1 | 1.985 | 1.985 | 0.000 | (0;000) | ✗ | 27/01/17 |
| SrTe | COD | 9008730 | Fm-3m (225) | ✔ | 2 | 16 | 1 | 1.153 | 1.986 | 0.000 | (0;000) | ✗ | 27/01/17 |
| CsAuS | ICSD | 656712 | Cmcm (63) | ✔ | 6 | 52 | 1 | 1.7838 | 1.986 | 0.000 | (0;000) | ✗ | 05/01/17 |
| Ca3(GaN2)2 | COD | 4323350 | C2/c (15) | ✔ | 18 | 152 | 2 | 1.9889 | 1.989 | 0.000 | (0;000) | ✗ | 02/02/17 |
| AgNO2 | ICSD | 26750 | Imm2 (44) | ✗ | 4 | 28 | 3 | 1.5341 | 1.989 | 0.000 | (0;000) | ✗ | 06/10/16 |
| TiCdO3 | COD | 2310616 | Pna2_1 (33) | ✗ | 20 | 168 | 3 | 1.9899 | 1.990 | 0.000 | (0;000) | ✗ | 22/03/17 |
| TaCu3Se4 | ICSD | 108406 | P-43m (215) | ✗ | 8 | 70 | 3 | 1.561 | 1.992 | 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 |
| Sr2CaMoO6 | ICSD | 72816 | Pmm2 (25) | ✗ | 20 | 160 | 1 | 1.9934 | 1.993 | 0.000 | (0;000) | ✗ | 11/04/17 |
| SbBr(OF3)2 | COD | 4305989 | P2/c (13) | ✔ | 20 | 132 | 1 | 1.9693 | 1.994 | 0.000 | (0;000) | ✗ | 02/02/17 |
| TlCl | ICSD | 61518 | Fm-3m (225) | ✔ | 2 | 20 | 1 | 1.994 | 1.994 | 0.000 | (0;000) | ✗ | 27/01/17 |
| HgI2 | ICSD | 22242 | Ccm2_1 (36) | ✗ | 6 | 52 | 2 | 1.8395 | 1.994 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Li4CO4 | ICSD | 245389 | R3m (160) | ✗ | 9 | 40 | 1 | 1.9001 | 1.995 | 0.000 | (0;000) | ✗ | 06/10/16 |
| BC2N | ICSD | 93040 | P2_122 (17) | ✗ | 8 | 32 | 3 | 1.9946 | 1.995 | 0.000 | (0;000) | ✗ | 06/10/16 |
| InI3 | ICSD | 23136 | P2_1/c (14) | ✔ | 16 | 136 | 1 | 1.996 | 1.996 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Ba2NbN3 | ICSD | 74906 | C2/c (15) | ✔ | 24 | 192 | 1 | 1.9768 | 1.997 | 0.000 | (0;000) | ✗ | 04/08/17 |
| CuAsPbO4 | ICSD | 61677 | P-1 (2) | ✔ | 14 | 108 | 3 | 1.9156 | 1.998 | 0.000 | (0;000) | ✗ | 30/01/17 |
| SnO | COD | 7206470 | P4/nmm (129) | ✔ | 4 | 40 | 2 | 0.1699 | 1.998 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Na3AuO2 | COD | 1510250 | P4_2/mnm (136) | ✔ | 24 | 200 | 1 | 1.9989 | 1.999 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Hg2TeO3 | ICSD | 203064 | P2cm (28) | ✗ | 12 | 96 | 3 | 1.6381 | 2.000 | 0.000 | (0;000) | ✗ | 06/10/16 |
| As2S3 | COD | 9015549 | P-1 (2) | ✔ | 20 | 112 | 1 | 1.7681 | 2.000 | 0.000 | (0;000) | ✗ | 30/01/17 |
| Ca3ZnSe4 | ICSD | 167833 | P-43m (215) | ✗ | 8 | 66 | 1 | 1.9339 | 2.000 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Ta2SnO6 | COD | 9012818 | Cc (9) | ✗ | 18 | 152 | 3 | 1.9974 | 2.001 | 0.000 | (0;000) | ✗ | 29/03/17 |
| Cd4OF6 | COD | 4030609 | P4_2/nmc (137) | ✔ | 22 | 192 | 3 | 1.9948 | 2.002 | 0.000 | (0;000) | ✗ | 04/08/17 |
| KLi6BiO6 | ICSD | 72840 | R-3m (166) | ✔ | 14 | 78 | 1 | 2.0022 | 2.002 | 0.000 | (0;000) | ✗ | 05/01/17 |
| Rb3BP2 | COD | 8103471 | C2/c (15) | ✔ | 12 | 80 | 1 | 1.6726 | 2.002 | 0.000 | (0;000) | ✗ | 02/02/17 |
| PS | COD | 2106562 | C2/c (15) | ✔ | 16 | 88 | 1 | 1.9547 | 2.002 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CsSbS2 | COD | 1530125 | P2_1/c (14) | ✔ | 16 | 104 | 1 | 1.8455 | 2.003 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Ba2Bi2O5 | ICSD | 69864 | P2_1/c (14) | ✔ | 18 | 160 | 2 | 1.8699 | 2.004 | 0.000 | (0;000) | ✗ | 02/02/17 |
| As4S5 | COD | 9012102 | P2_1/m (11) | ✔ | 18 | 100 | 1 | 1.7978 | 2.005 | 0.000 | (0;000) | ✗ | 30/01/17 |
| HgSO4 | ICSD | 100316 | Pn2_1m (31) | ✗ | 12 | 84 | 3 | 1.6049 | 2.007 | 0.000 | (0;000) | ✗ | 06/10/16 |
| RbAuCl4 | COD | 8103425 | C2/c (15) | ✔ | 12 | 96 | 1 | 2.0009 | 2.007 | 0.000 | (0;000) | ✗ | 30/01/17 |
| KAuSe | COD | 1510205 | Cmcm (63) | ✔ | 6 | 52 | 1 | 1.7302 | 2.008 | 0.000 | (0;000) | ✗ | 05/01/17 |
| SrTiO3 | ICSD | 182248 | Ic2m (46) | ✗ | 10 | 80 | 3 | 2.0079 | 2.008 | 0.000 | (0;000) | ✗ | 06/10/16 |
| K3MoHS4O | ICSD | 425985 | Pmn2_1 (31) | ✗ | 20 | 144 | 1 | 2.0081 | 2.008 | 0.000 | (0;000) | ✗ | 29/03/17 |
| Rb2CuCl3 | ICSD | 150294 | Pnma (62) | ✔ | 24 | 200 | 1 | 2.0085 | 2.009 | 0.000 | (0;000) | ✗ | 04/08/17 |
| ZrPbO3 | ICSD | 39607 | C2mm (38) | ✗ | 5 | 36 | 3 | 2.0123 | 2.012 | 0.000 | (0;000) | ✗ | 06/10/16 |
| CrPb2O5 | COD | 8103050 | C2/m (12) | ✔ | 16 | 144 | 3 | 1.8045 | 2.012 | 0.000 | (0;000) | ✗ | 02/02/17 |
| K3SiTe3 | COD | 1527296 | C2/m (12) | ✔ | 14 | 98 | 1 | 1.7652 | 2.013 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Cd2SiO4 | ICSD | 50531 | Fddd (70) | ✔ | 14 | 104 | 3 | 1.9093 | 2.013 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Cs2NbAgSe4 | ICSD | 50464 | Fddd (70) | ✔ | 16 | 132 | 1 | 1.8633 | 2.014 | 0.000 | (0;000) | ✗ | 16/03/17 |
| Na2CdSnS4 | COD | 7011307 | C2 (5) | ✗ | 8 | 68 | 3 | 2.0139 | 2.014 | 0.000 | (0;000) | ✗ | 22/03/17 |
| BaC2 | ICSD | 88102 | C2/c (15) | ✔ | 6 | 36 | 1 | 1.9008 | 2.015 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Cd(GaS2)2 | ICSD | 619875 | I-4 (82) | ✗ | 7 | 62 | 3 | 2.0132 | 2.015 | 0.000 | (0;000) | ✗ | 06/10/16 |
| CsC3(SeN)3 | ICSD | 4101 | C2/c (15) | ✔ | 20 | 108 | 1 | 1.9235 | 2.016 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CsCu3S2 | ICSD | 23326 | P-3m1 (164) | ✔ | 6 | 54 | 2 | 1.6265 | 2.016 | 0.000 | (0;000) | ✗ | 27/01/17 |
| CdGe2O5 | ICSD | 23039 | P-1 (2) | ✔ | 16 | 100 | 3 | 1.8665 | 2.017 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Sr2InSbO6 | ICSD | 154032 | P2_1/c (14) | ✔ | 20 | 148 | 3 | 2.0189 | 2.019 | 0.000 | (0;000) | ✗ | 02/02/17 |
| AsI3 | ICSD | 23003 | R-3 (148) | ✔ | 8 | 52 | 1 | 1.9506 | 2.019 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Na3SbO4 | COD | 1525240 | P2/c (13) | ✔ | 16 | 112 | 1 | 2.0196 | 2.020 | 0.000 | (0;000) | ✗ | 27/01/17 |
| CdCN2 | ICSD | 95265 | R3m (160) | ✗ | 4 | 26 | 3 | 2.021 | 2.021 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Cd3(BO3)2 | ICSD | 427222 | P-1 (2) | ✔ | 22 | 156 | 3 | 1.7867 | 2.021 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Ga2HgS4 | ICSD | 189741 | I-4 (82) | ✗ | 7 | 62 | 3 | 2.0214 | 2.021 | 0.000 | (0;000) | ✗ | 06/10/16 |
| NaSb(PS3)2 | ICSD | 155270 | P2_1 (4) | ✗ | 20 | 120 | 2 | 1.9131 | 2.022 | 0.000 | (0;000) | ✗ | 29/03/17 |
| KNaSe | ICSD | 67278 | Pnma (62) | ✔ | 12 | 96 | 1 | 2.022 | 2.022 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Ba2ZnS3 | COD | 4327809 | Pnma (62) | ✔ | 24 | 200 | 1 | 2.0228 | 2.023 | 0.000 | (0;000) | ✗ | 04/08/17 |
| KTeOF3 | ICSD | 201155 | P2_1 (4) | ✗ | 12 | 84 | 1 | 1.8951 | 2.024 | 0.000 | (0;000) | ✗ | 22/03/17 |
| BaTeS3 | ICSD | 8 | Pnma (62) | ✔ | 20 | 136 | 1 | 1.8106 | 2.025 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Cs2NbCuSe4 | ICSD | 84306 | Fddd (70) | ✔ | 16 | 132 | 1 | 1.6663 | 2.025 | 0.000 | (0;000) | ✗ | 22/03/17 |
| Cd(GaS2)2 | ICSD | 31354 | I-4 (82) | ✗ | 7 | 62 | 3 | 2.0248 | 2.027 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Ba2TaN3 | ICSD | 74503 | C2/c (15) | ✔ | 24 | 192 | 1 | 2.0204 | 2.027 | 0.000 | (0;000) | ✗ | 04/08/17 |
| GaCuCl4 | ICSD | 300103 | P-42c (112) | ✗ | 12 | 104 | 3 | 1.9742 | 2.030 | 0.000 | (0;000) | ✗ | 22/03/17 |
| NaNO2 | ICSD | 31824 | Imm2 (44) | ✗ | 4 | 26 | 1 | 1.8658 | 2.031 | 0.000 | (0;000) | ✗ | 06/10/16 |
| CsGaSe3 | COD | 1533091 | P2_1/c (14) | ✔ | 20 | 160 | 1 | 1.9338 | 2.031 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Hg3(SCl)2 | COD | 9011080 | I2_13 (199) | ✗ | 14 | 124 | 3 | 2.0084 | 2.031 | 0.000 | (0;000) | ✗ | 22/03/17 |
| NaClO3 | COD | 1010513 | P2_13 (198) | ✗ | 20 | 136 | 1 | 1.9432 | 2.031 | 0.000 | (0;000) | ✗ | 22/03/17 |
| LiAgC2 | ICSD | 410868 | P-6m2 (187) | ✗ | 4 | 22 | 1 | 1.2334 | 2.032 | 0.000 | (0;000) | ✗ | 06/10/16 |
| TaCu3Se4 | ICSD | 427174 | P-43m (215) | ✗ | 8 | 70 | 3 | 1.5807 | 2.033 | 0.000 | (0;000) | ✗ | 06/10/16 |
| AsI3 | COD | 9008098 | R-3 (148) | ✔ | 8 | 52 | 1 | 1.9735 | 2.033 | 0.000 | (0;000) | ✗ | 30/01/17 |
| Cd(GaS2)2 | ICSD | 106362 | I-4 (82) | ✗ | 7 | 62 | 3 | 2.0324 | 2.034 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Sr(GaSe2)2 | ICSD | 635400 | Cccm (66) | ✔ | 14 | 120 | 1 | 1.9224 | 2.034 | 0.000 | (0;000) | ✗ | 02/02/17 |
| TaCu3S4 | ICSD | 53335 | P-43m (215) | ✗ | 8 | 70 | 3 | 1.7448 | 2.035 | 0.000 | (0;000) | ✗ | 06/10/16 |