Plotting...
| ▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▴ met. | ▹ ν | wcc | ▹ updated |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Ga2Te5 | ICSD | 635505 | I4/m (87) | ✔ | 7 | 56 | 3 | 0.7831 | 0.801 | 0.000 | (0;000) | ✗ | 02/02/17 |
| AlAgO2 | COD | 1509215 | Pna2_1 (33) | ✗ | 16 | 104 | 3 | 0.784 | 0.922 | 0.000 | (0;000) | ✗ | 16/03/17 |
| SrGe(HO2)2 | ICSD | 30320 | I-42d (122) | ✗ | 16 | 80 | 3 | 4.6209 | 4.716 | 0.000 | (0;000) | ✗ | 15/02/17 |
| K3GaO3 | ICSD | 2269 | C2/m (12) | ✔ | 14 | 116 | 1 | 2.7722 | 2.772 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Rb2Ti(CuS2)2 | COD | 4319681 | P4_2/mcm (132) | ✔ | 18 | 152 | 2 | 1.6121 | 1.886 | 0.000 | (0;000) | ✗ | 02/02/17 |
| H3AuC2NCl | ICSD | 152108 | P2_1 (4) | ✗ | 16 | 68 | 1 | 3.3571 | 3.585 | 0.000 | (0;000) | ✗ | 21/03/17 |
| MgSiN2 | COD | 1520911 | Pna2_1 (33) | ✗ | 16 | 96 | 3 | 4.1594 | 4.589 | 0.000 | (0;000) | ✗ | 15/02/17 |
| LiMoS2 | COD | 1531962 | P-1 (2) | ✔ | 16 | 116 | 3 | 0.2758 | 0.281 | 0.000 | (0;000) | ✗ | 02/02/17 |
| K3Na(SeO4)2 | COD | 2101023 | P-3m1 (164) | ✔ | 14 | 96 | 1 | 4.281 | 4.343 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Ca2Al2O5 | COD | 9002389 | Ima2 (46) | ✗ | 18 | 112 | 3 | 3.8003 | 3.800 | 0.000 | (0;000) | ✗ | 16/03/17 |
| ReS2 | ICSD | 75459 | P-1 (2) | ✔ | 12 | 108 | 2 | 1.1111 | 1.111 | 0.000 | (0;000) | ✗ | 02/02/17 |
| SiC | COD | 9000028 | R3m (160) | ✗ | 14 | 56 | 3 | 1.6226 | 2.836 | 0.000 | (0;000) | ✗ | 15/03/17 |
| Na4TeO5 | COD | 1530933 | P-1 (2) | ✔ | 20 | 144 | 1 | 2.3788 | 2.498 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Rb3InS3 | ICSD | 23252 | C2/m (12) | ✔ | 14 | 116 | 1 | 2.4145 | 2.447 | 0.000 | (0;000) | ✗ | 02/02/17 |
| In2S3 | COD | 7221366 | R-3c (167) | ✔ | 10 | 88 | 3 | 0.5499 | 0.778 | 0.000 | (0;000) | ✗ | 02/02/17 |
| SrZrSe3 | ICSD | 84723 | Pnma (62) | ✔ | 20 | 128 | 2 | 0.1594 | 0.178 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Rb2Te3 | COD | 1520875 | Pnma (62) | ✔ | 20 | 144 | 1 | 0.6435 | 0.755 | 0.000 | (0;000) | ✗ | 02/02/17 |
| BaBClF4 | ICSD | 188654 | Pmn2_1 (31) | ✗ | 14 | 96 | 1 | 6.2092 | 6.211 | 0.000 | (0;000) | ✗ | 21/03/17 |
| NbSbRu | ICSD | 83929 | F-43m (216) | ✗ | 3 | 34 | 3 | 0.3146 | 1.279 | 0.000 | (0;000) | ✔ | 15/02/17 |
| Mg2SiO4 | ICSD | 189973 | Cmc2_1 (36) | ✗ | 14 | 96 | 3 | 2.3132 | 2.447 | 0.000 | (0;000) | ✗ | 15/02/17 |
| SeO2 | ICSD | 99464 | Pmc2_1 (26) | ✗ | 12 | 72 | 2 | 3.521 | 3.788 | 0.000 | (0;000) | ✗ | 15/02/17 |
| Cs2Pt3Se4 | ICSD | 33893 | Fmmm (69) | ✔ | 9 | 72 | 1 | 1.2542 | 1.348 | 0.000 | (0;000) | ✗ | 02/02/17 |
| NO2 | COD | 2104473 | Im3 (204) | ✔ | 18 | 102 | 1 | 2.8252 | 2.825 | 0.000 | (0;000) | ✗ | 02/02/17 |
| K3Nb3(BO6)2 | COD | 1001007 | P31m (157) | ✗ | 20 | 144 | 3 | 2.121 | 2.252 | 0.000 | (0;000) | ✗ | 21/03/17 |
| Cs2Ti(CuSe2)2 | COD | 4319683 | P4_2/mcm (132) | ✔ | 18 | 152 | 2 | 1.328 | 1.629 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Rb3GaO3 | ICSD | 2270 | C2/m (12) | ✔ | 14 | 116 | 3 | 2.5449 | 2.545 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Sc7CoCl12 | ICSD | 424476 | R-3 (148) | ✔ | 20 | 178 | 3 | 0.1088 | 0.149 | 0.000 | (0;000) | ✗ | 02/02/17 |
| In6Ge2PtO9 | ICSD | 170897 | Fm-3m (225) | ✔ | 18 | 150 | 3 | 1.6147 | 1.767 | 0.000 | (0;000) | ✗ | 02/02/17 |
| TlInSe2 | COD | 1527852 | I4/mcm (140) | ✔ | 8 | 76 | 1 | 0.3952 | 0.395 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Sr(Si3N4)2 | ICSD | 391265 | Imm2 (44) | ✗ | 15 | 74 | 3 | 3.2652 | 3.666 | 0.000 | (0;000) | ✗ | 15/02/17 |
| Ir2S3 | ICSD | 640948 | Pbcn (60) | ✔ | 20 | 208 | 3 | 0.8351 | 0.924 | 0.000 | (0;000) | ✗ | 02/02/17 |
| RbTaGeS5 | ICSD | 417874 | P-1 (2) | ✔ | 16 | 112 | 1 | 0.6998 | 0.708 | 0.000 | (0;000) | ✗ | 02/02/17 |
| BPO4 | COD | 8103470 | P3_121 (152) | ✗ | 18 | 96 | 3 | 7.469 | 7.603 | 0.000 | (0;000) | ✗ | 15/02/17 |
| VAgHgO4 | COD | 4308659 | C2 (5) | ✗ | 14 | 120 | 3 | 0.9655 | 1.513 | 0.000 | (0;000) | ✗ | 15/02/17 |
| Ca2SiO4 | ICSD | 182054 | P6_3mc (186) | ✗ | 14 | 96 | 1 | 2.5583 | 2.558 | 0.000 | (0;000) | ✗ | 15/02/17 |
| Li2ZnGeO4 | ICSD | 34362 | Pc (7) | ✗ | 16 | 92 | 3 | 3.3234 | 3.361 | 0.000 | (0;000) | ✗ | 15/02/17 |
| RbReO4 | ICSD | 73297 | I4_1/a (88) | ✔ | 12 | 96 | 1 | 4.4777 | 4.478 | 0.000 | (0;000) | ✗ | 02/02/17 |
| HOF | ICSD | 63681 | P2_12_12_1 (19) | ✗ | 12 | 56 | 1 | 3.5169 | 3.518 | 0.000 | (0;000) | ✗ | 15/02/17 |
| Rb2IN3 | ICSD | 202078 | P4/mbm (127) | ✔ | 12 | 80 | 1 | 3.9037 | 3.904 | 0.000 | (0;000) | ✗ | 02/02/17 |
| SiO2 | COD | 9006300 | P1 (1) | ✗ | 12 | 64 | 3 | 2.6958 | 2.696 | 0.000 | (0;000) | ✗ | 15/02/17 |
| BaZnBO3F | ICSD | 248042 | P-6 (174) | ✗ | 7 | 50 | 3 | 3.7899 | 4.365 | 0.000 | (0;000) | ✗ | 15/02/17 |
| LiCo(CO)4 | ICSD | 30854 | P-43m (215) | ✗ | 10 | 60 | 3 | 4.0417 | 4.042 | 0.000 | (0;000) | ✗ | 15/02/17 |
| NaLi3(H2N)4 | ICSD | 201148 | I-4 (82) | ✗ | 16 | 46 | 1 | 3.1757 | 3.289 | 0.000 | (0;000) | ✗ | 15/02/17 |
| KZrCuS3 | ICSD | 80624 | Cmcm (63) | ✔ | 12 | 84 | 1 | 0.5478 | 0.548 | 0.000 | (0;000) | ✗ | 02/02/17 |
| SbI3 | ICSD | 30906 | P2_1/c (14) | ✔ | 16 | 104 | 1 | 2.0113 | 2.049 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CdSb6(S2I)4 | ICSD | 27733 | P-1 (2) | ✔ | 19 | 118 | 1 | 1.4312 | 1.431 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Tl2Hg2PdCl8 | ICSD | 203186 | C2/m (12) | ✔ | 13 | 124 | 1 | 1.6229 | 1.675 | 0.000 | (0;000) | ✗ | 02/02/17 |
| K3NaCr2O8 | COD | 2101077 | P-3m1 (164) | ✔ | 14 | 112 | 1 | 3.2103 | 3.214 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Hg(CO2)2 | ICSD | 151138 | P2_1 (4) | ✗ | 14 | 88 | 3 | 2.7964 | 2.862 | 0.000 | (0;000) | ✗ | 15/02/17 |
| CuCSN | ICSD | 32578 | P6_3mc (186) | ✗ | 8 | 52 | 3 | 2.1727 | 2.173 | 0.000 | (0;000) | ✗ | 15/02/17 |
| Na2CdCl4 | ICSD | 69344 | Pbam (55) | ✔ | 14 | 116 | 1 | 3.5843 | 3.600 | 0.000 | (0;000) | ✗ | 02/02/17 |
| KClO4 | COD | 1010568 | F-43m (216) | ✗ | 6 | 40 | 1 | 1.6538 | 1.654 | 0.000 | (0;000) | ✗ | 15/02/17 |
| CsCu2I3 | ICSD | 150305 | Cmcm (63) | ✔ | 12 | 104 | 1 | 1.9026 | 1.903 | 0.000 | (0;000) | ✗ | 02/02/17 |
| AgHgSI | ICSD | 54796 | P2_12_12_1 (19) | ✗ | 16 | 144 | 3 | 1.4581 | 1.462 | 0.000 | (0;000) | ✗ | 16/03/17 |
| Ta(ICl)2 | ICSD | 69688 | Immm (71) | ✔ | 10 | 82 | 1 | 0.9886 | 0.996 | 0.000 | (0;000) | ✗ | 02/02/17 |
| N2 | ICSD | 40936 | R-3c (167) | ✔ | 16 | 80 | 1 | 5.8672 | 5.886 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Na3ScF6 | ICSD | 400723 | P2_1/c (14) | ✔ | 20 | 160 | 1 | 7.041 | 7.074 | 0.000 | (0;000) | ✗ | 02/02/17 |
| PCl2OF | ICSD | 416167 | P2_1/c (14) | ✔ | 20 | 128 | 1 | 5.5247 | 5.615 | 0.000 | (0;000) | ✗ | 02/02/17 |
| SrHfS3 | ICSD | 638863 | Pnma (62) | ✔ | 20 | 160 | 3 | 1.4451 | 1.445 | 0.000 | (0;000) | ✗ | 02/02/17 |
| KHgSb | ICSD | 56201 | P6_3/mmc (194) | ✔ | 6 | 52 | 2 | 0.2395 | 0.325 | 0.000 | (1;110) | ✗ | 02/02/17 |
| K2SnSe3 | ICSD | 300234 | P-1 (2) | ✔ | 12 | 100 | 1 | 1.7684 | 1.768 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Li3AsO4 | ICSD | 75927 | Pmn2_1 (31) | ✗ | 16 | 76 | 1 | 4.7571 | 4.821 | 0.000 | (0;000) | ✗ | 15/02/17 |
| TlGeI3 | ICSD | 201144 | Pnma (62) | ✔ | 20 | 152 | 2 | 1.6566 | 1.729 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CuCSN | ICSD | 24372 | R3m (160) | ✗ | 4 | 26 | 3 | 2.1878 | 2.361 | 0.000 | (0;000) | ✗ | 15/02/17 |
| CsSnI3 | COD | 4117957 | Pm-3m (221) | ✔ | 5 | 44 | 3 | 0.0969 | 0.097 | 0.000 | (1;111) | ✗ | 02/02/17 |
| HfTl2Se3 | COD | 7019864 | P2_1/m (11) | ✔ | 12 | 112 | 3 | 0.4025 | 0.553 | 0.000 | (0;000) | ✗ | 02/02/17 |
| RbLiF2 | COD | 4343819 | C2/c (15) | ✔ | 16 | 104 | 1 | 6.05 | 6.068 | 0.000 | (0;000) | ✗ | 02/02/17 |
| K2SO3 | ICSD | 60762 | P-3m1 (164) | ✔ | 12 | 84 | 1 | 4.983 | 5.165 | 0.000 | (0;000) | ✗ | 02/02/17 |
| H2CO2 | ICSD | 151248 | Pna2_1 (33) | ✗ | 20 | 72 | 1 | 4.7471 | 4.747 | 0.000 | (0;000) | ✗ | 15/02/17 |
| Mg3Si2H4O9 | COD | 9001639 | P31m (157) | ✗ | 18 | 96 | 2 | 4.6081 | 4.611 | 0.000 | (0;000) | ✗ | 15/02/17 |
| NaSc(GeO3)2 | ICSD | 22503 | C2/c (15) | ✔ | 20 | 128 | 3 | 4.0198 | 4.020 | 0.000 | (0;000) | ✗ | 02/02/17 |
| NaSb | COD | 9008950 | P2_1/c (14) | ✔ | 16 | 112 | 1 | 0.6112 | 0.614 | 0.000 | (0;000) | ✗ | 02/02/17 |
| NaIO3 | COD | 1530853 | Pnma (62) | ✔ | 20 | 136 | 1 | 3.7298 | 3.969 | 0.000 | (0;000) | ✗ | 02/02/17 |
| NbCuO3 | COD | 1530352 | C2/m (12) | ✔ | 20 | 168 | 3 | 1.2247 | 1.263 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Na5InS4 | ICSD | 300175 | P2_1/m (11) | ✔ | 20 | 164 | 1 | 2.067 | 2.067 | 0.000 | (0;000) | ✗ | 02/02/17 |
| RbGeIO6 | ICSD | 73613 | P312 (149) | ✗ | 9 | 56 | 2 | 3.0426 | 3.244 | 0.000 | (0;000) | ✗ | 15/02/17 |
| Na2PS3 | ICSD | 426907 | C2/m (12) | ✔ | 12 | 82 | 1 | 2.7557 | 3.066 | 0.000 | (0;000) | ✗ | 02/02/17 |
| LiGa(SiO3)2 | COD | 9013865 | C2/c (15) | ✔ | 20 | 120 | 3 | 4.7408 | 4.877 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CaZrO3 | COD | 1532747 | Pnma (62) | ✔ | 20 | 128 | 3 | 3.4975 | 3.498 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Rb2Zn3O4 | ICSD | 40754 | C2/c (15) | ✔ | 18 | 156 | 3 | 1.5657 | 1.566 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Na4SnO4 | COD | 4030179 | P-1 (2) | ✔ | 18 | 148 | 1 | 2.2889 | 2.305 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Sb3Ir | COD | 2310426 | Im3 (204) | ✔ | 16 | 128 | 3 | 0.0978 | 0.098 | 0.000 | (0;000) | ✗ | 02/02/17 |
| ZnSiO3 | COD | 2106565 | C2/c (15) | ✔ | 20 | 136 | 3 | 3.6364 | 3.782 | 0.000 | (0;000) | ✗ | 02/02/17 |
| KPt2S3 | ICSD | 40062 | R-3m (166) | ✔ | 12 | 94 | 2 | 1.3757 | 1.377 | 0.000 | (0;000) | ✗ | 02/02/17 |
| InPb2I5 | ICSD | 151997 | I4/mcm (140) | ✔ | 16 | 152 | 2 | 1.2846 | 1.323 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Be4TeO7 | COD | 2106455 | F-43m (216) | ✗ | 12 | 64 | 1 | 1.6716 | 1.672 | 0.000 | (0;000) | ✗ | 15/02/17 |
| MgS2O7 | ICSD | 426707 | P-1 (2) | ✔ | 20 | 128 | 3 | 5.9973 | 5.997 | 0.000 | (0;000) | ✗ | 02/02/17 |
| RbSO4F | ICSD | 8275 | P-1 (2) | ✔ | 14 | 92 | 1 | 3.4419 | 3.442 | 0.000 | (0;000) | ✗ | 02/02/17 |
| HCl | COD | 9016437 | Cmc2_1 (36) | ✗ | 4 | 16 | 1 | 5.8258 | 5.826 | 0.000 | (0;000) | ✗ | 15/02/17 |
| Li2CaHfF8 | ICSD | 95248 | I-4 (82) | ✗ | 12 | 84 | 1 | 7.2455 | 7.291 | 0.000 | (0;000) | ✗ | 15/02/17 |
| Rb3BP2 | COD | 8103471 | C2/c (15) | ✔ | 12 | 80 | 1 | 1.6726 | 2.002 | 0.000 | (0;000) | ✗ | 02/02/17 |
| H2PbO2 | ICSD | 20701 | Pnma (62) | ✔ | 20 | 112 | 3 | 1.7355 | 1.979 | 0.000 | (0;000) | ✗ | 02/02/17 |
| K3Sb2N2O6F7 | ICSD | 200740 | C2/m (12) | ✔ | 20 | 132 | 1 | 2.8769 | 2.886 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CdSiAs2 | ICSD | 609979 | I-42d (122) | ✗ | 8 | 52 | 3 | 0.7925 | 0.794 | 0.000 | (0;000) | ✗ | 15/02/17 |
| SrPS3 | ICSD | 405191 | P2_1/c (14) | ✔ | 20 | 132 | 1 | 3.1418 | 3.142 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Ba(Si3N4)2 | ICSD | 417444 | Imm2 (44) | ✗ | 15 | 74 | 3 | 3.1372 | 3.321 | 0.000 | (0;000) | ✗ | 15/02/17 |
| NaIn(SiO3)2 | COD | 9003413 | C2/c (15) | ✔ | 20 | 132 | 3 | 2.9551 | 3.020 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Li2BeSiO4 | COD | 9013066 | Pc (7) | ✗ | 16 | 76 | 3 | 4.9988 | 4.999 | 0.000 | (0;000) | ✗ | 15/02/17 |
| HgPSe3 | ICSD | 639132 | C2/c (15) | ✔ | 20 | 140 | 2 | 1.082 | 1.082 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Tl2SnS3 | ICSD | 48152 | C2/m (12) | ✔ | 12 | 116 | 1 | 0.6589 | 0.884 | 0.000 | (0;000) | ✗ | 02/02/17 |