Plotting...
| ▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▴ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Ba5Ta4O15 | COD | 2310386 | P-3m1 (164) | ✔ | 24 | 192 | 1 | 0.8298 | 0.831 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Ba6Ga5N | ICSD | 77731 | R-3c (167) | ✔ | 24 | 260 | 1 | 0.0 | 0.003 | 0.093 | (1;000) | ✗ | 04/08/17 |
| CsMnAs | ICSD | 40572 | P4/nmm (129) | ✔ | 6 | 58 | 1 | 0.0 | 0.000 | 0.833 | (1;001) | ✗ | 05/01/17 |
| BaBeF4 | COD | 5910312 | Pnma (62) | ✔ | 24 | 168 | 1 | 7.8184 | 7.862 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Ba(ClO4)2 | COD | 2240592 | Fddd (70) | ✔ | 22 | 144 | 1 | 5.9888 | 5.989 | 0.000 | (0;000) | ✗ | 04/08/17 |
| BaPdCl4 | ICSD | 411837 | Pbcn (60) | ✔ | 24 | 224 | 1 | 1.264 | 1.264 | 0.000 | (0;000) | ✗ | 04/08/17 |
| BaZnCl4 | ICSD | 410194 | Pnna (52) | ✔ | 24 | 200 | 1 | 4.6929 | 4.693 | 0.000 | (0;000) | ✗ | 04/08/17 |
| BaZnCl4 | ICSD | 411952 | Pbcn (60) | ✔ | 24 | 200 | 1 | 4.6825 | 4.683 | 0.000 | (0;000) | ✗ | 04/08/17 |
| BaCrO4 | COD | 5910178 | Pnma (62) | ✔ | 24 | 192 | 1 | 4.1477 | 4.160 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Cu2As | COD | 1527863 | P4/nmm (129) | ✔ | 6 | 54 | 3 | 0.0 | 0.000 | 0.811 | (1;000) | ✗ | 05/01/17 |
| BaFe2Se3 | COD | 1504314 | Pnma (62) | ✔ | 24 | 176 | 1 | 0.0 | 0.003 | 0.354 | (1;000) | ✗ | 04/08/17 |
| BaFe4O7 | ICSD | 2530 | P6_3/m (176) | ✔ | 24 | 168 | 3 | 0.0 | 0.002 | 0.763 | (0;000) | ✗ | 04/08/17 |
| MnInCu2 | COD | 1525451 | Fm-3m (225) | ✔ | 4 | 50 | 3 | 0.0 | 0.023 | 0.030 | (1;000) | ✗ | 27/01/17 |
| MgCd | ICSD | 102022 | Pmmb (51) | ✔ | 4 | 44 | 3 | 0.0 | 0.023 | 0.371 | (0;100) | ✗ | 06/10/16 |
| BaGe2 | ICSD | 409260 | Pnma (62) | ✔ | 24 | 144 | 1 | 0.4882 | 0.617 | 0.000 | (0;000) | ✗ | 04/08/17 |
| BaReH9 | ICSD | 75460 | P6_3/mmc (194) | ✔ | 22 | 68 | 1 | 2.9946 | 2.995 | 0.000 | (0;000) | ✗ | 04/08/17 |
| HfSiCuAs | ICSD | 610322 | P4/nmm (129) | ✔ | 8 | 64 | 3 | 0.0 | 0.050 | 0.067 | (0;001) | ✗ | 05/01/17 |
| BaMnO4 | COD | 5910329 | Pnma (62) | ✔ | 24 | 196 | 1 | 0.0 | 0.000 | 0.451 | (1;011) | ✗ | 04/08/17 |
| BaNb6O17 | COD | 9015043 | Immm (71) | ✔ | 24 | 190 | 2 | 0.0 | 0.012 | 0.670 | (1;111) | ✗ | 04/08/17 |
| BaSO4 | COD | 9004122 | Pnma (62) | ✔ | 24 | 160 | 1 | 6.3673 | 6.423 | 0.000 | (0;000) | ✗ | 04/08/17 |
| BaSeO4 | COD | 8102886 | Pnma (62) | ✔ | 24 | 160 | 1 | 4.5065 | 4.555 | 0.000 | (0;000) | ✗ | 04/08/17 |
| CuAs | ICSD | 610308 | P6_3/mmc (194) | ✔ | 4 | 32 | 3 | 0.0 | 0.002 | 0.473 | (1;000) | ✗ | 05/01/17 |
| InCu2 | ICSD | 657611 | P6_3/mmc (194) | ✔ | 6 | 70 | 3 | 0.0 | 0.000 | 0.652 | (1;000) | ✗ | 27/01/17 |
| BaTi2O5 | COD | 2310593 | C2/m (12) | ✔ | 24 | 192 | 3 | 0.0 | 0.006 | 0.420 | (1;000) | ✗ | 04/08/17 |
| Ba(PO4)2 | COD | 9015132 | P-1 (2) | ✔ | 22 | 136 | 1 | 0.0 | 0.001 | 0.505 | (1;001) | ✗ | 04/08/17 |
| BaV3O8 | ICSD | 82063 | P2_1/m (11) | ✔ | 24 | 194 | 2 | 0.0 | 0.000 | 0.982 | (1;011) | ✗ | 04/08/17 |
| Li2CuAs | ICSD | 43938 | P6_3/mmc (194) | ✔ | 8 | 44 | 2 | 0.0 | 0.467 | 0.219 | (0;000) | ✗ | 05/01/17 |
| BaP3Pt2 | ICSD | 62520 | P2_1/c (14) | ✔ | 24 | 180 | 3 | 0.0952 | 0.530 | 0.000 | (0;000) | ✗ | 04/08/17 |
| MgCuAs | COD | 9008319 | P4/nmm (129) | ✔ | 6 | 52 | 3 | 0.0 | 0.027 | 0.307 | (1;000) | ✗ | 05/01/17 |
| BaSi9Rh2 | ICSD | 247984 | C2/c (15) | ✔ | 24 | 160 | 3 | 0.1809 | 0.310 | 0.000 | (0;000) | ✗ | 04/08/17 |
| BaSi2 | COD | 1526653 | Pnma (62) | ✔ | 24 | 144 | 1 | 0.6531 | 0.771 | 0.000 | (0;000) | ✗ | 04/08/17 |
| BaBPd4 | ICSD | 247264 | Pnma (62) | ✔ | 24 | 340 | 3 | 0.0 | 0.000 | 0.503 | (1;011) | ✗ | 04/08/17 |
| BCl2 | COD | 1510986 | Pbca (61) | ✔ | 24 | 136 | 1 | 2.6338 | 2.634 | 0.000 | (0;000) | ✗ | 04/08/17 |
| CsBF4 | COD | 1532247 | Pnma (62) | ✔ | 24 | 160 | 1 | 7.8917 | 7.931 | 0.000 | (0;000) | ✗ | 04/08/17 |
| CsBO2 | COD | 1511080 | R-3c (167) | ✔ | 24 | 144 | 2 | 4.077 | 4.084 | 0.000 | (0;000) | ✗ | 04/08/17 |
| K4Be3O5 | ICSD | 33808 | C2/c (15) | ✔ | 24 | 156 | 1 | 3.3568 | 3.409 | 0.000 | (0;000) | ✗ | 04/08/17 |
| BePbF4 | COD | 5910280 | Pnma (62) | ✔ | 24 | 184 | 3 | 4.5631 | 4.701 | 0.000 | (0;000) | ✗ | 04/08/17 |
| BePbF4 | ICSD | 24568 | Pnma (62) | ✔ | 24 | 184 | 3 | 4.4935 | 4.523 | 0.000 | (0;000) | ✗ | 04/08/17 |
| SrBeF4 | ICSD | 404396 | P2_1/c (14) | ✔ | 24 | 168 | 1 | 7.6882 | 7.690 | 0.000 | (0;000) | ✗ | 04/08/17 |
| InBF4 | COD | 1511123 | Pnma (62) | ✔ | 24 | 176 | 1 | 4.5108 | 4.575 | 0.000 | (0;000) | ✗ | 04/08/17 |
| KBF4 | COD | 9012411 | Pnma (62) | ✔ | 24 | 160 | 1 | 8.1512 | 8.151 | 0.000 | (0;000) | ✗ | 04/08/17 |
| BNF4 | COD | 9015016 | Pnma (62) | ✔ | 24 | 144 | 1 | 0.0 | 0.005 | 0.482 | (0;000) | ✗ | 04/08/17 |
| RbBF4 | COD | 9012413 | Pnma (62) | ✔ | 24 | 160 | 1 | 7.797 | 7.797 | 0.000 | (0;000) | ✗ | 04/08/17 |
| TlBF4 | COD | 8103456 | Pnma (62) | ✔ | 24 | 176 | 1 | 5.4599 | 5.598 | 0.000 | (0;000) | ✗ | 04/08/17 |
| KBH4 | ICSD | 160986 | Pnma (62) | ✔ | 24 | 64 | 3 | 0.0 | 0.007 | 0.354 | (1;000) | ✗ | 04/08/17 |
| LiBH4 | COD | 1504402 | Pnma (62) | ✔ | 24 | 40 | 1 | 7.5535 | 7.596 | 0.000 | (0;000) | ✗ | 04/08/17 |
| NaBH4 | ICSD | 166446 | Pnma (62) | ✔ | 24 | 64 | 1 | 6.1844 | 6.186 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Ni3(BiS)2 | COD | 1525608 | C2/m (12) | ✔ | 14 | 144 | 3 | 0.0 | 0.030 | 0.821 | (1;111) | ✗ | 04/08/17 |
| Sn2Bi2O7 | ICSD | 50311 | Fd-3m (227) | ✔ | 22 | 200 | 3 | 2.2298 | 2.401 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Na2Zr(CuS2)2 | ICSD | 79536 | C2/m (12) | ✔ | 9 | 68 | 1 | 0.0 | 0.012 | 0.006 | (1;000) | ✗ | 27/01/17 |
| Bi4Pb7Se13 | COD | 4340717 | C2/m (12) | ✔ | 24 | 236 | 3 | 0.0 | 0.056 | 0.089 | (1;111) | ✗ | 04/08/17 |
| LiCu2Sn | ICSD | 150602 | P6_3/mmc (194) | ✔ | 8 | 78 | 3 | 0.0 | 0.000 | 0.791 | (0;000) | ✗ | 27/01/17 |
| BiI3 | COD | 1010622 | P-3 (147) | ✔ | 24 | 216 | 2 | 0.947 | 0.947 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Li2Cu2TeO6 | ICSD | 189655 | C2/m (12) | ✔ | 11 | 70 | 2 | 0.0428 | 0.107 | 0.000 | (0;000) | ✗ | 27/01/17 |
| NbBiO4 | COD | 1524671 | P-1 (2) | ✔ | 24 | 208 | 3 | 2.4687 | 2.469 | 0.000 | (0;000) | ✗ | 04/08/17 |
| NbBiO4 | COD | 1532718 | Pnna (52) | ✔ | 24 | 208 | 3 | 2.8013 | 2.921 | 0.000 | (0;000) | ✗ | 04/08/17 |
| BiPO4 | COD | 7023719 | P2_1/c (14) | ✔ | 24 | 176 | 1 | 3.3191 | 3.364 | 0.000 | (0;000) | ✗ | 04/08/17 |
| TaBiO4 | COD | 1532721 | Pnna (52) | ✔ | 24 | 208 | 3 | 2.9069 | 2.907 | 0.000 | (0;000) | ✗ | 04/08/17 |
| TaBiO4 | ICSD | 415849 | P-1 (2) | ✔ | 24 | 208 | 3 | 2.3509 | 2.351 | 0.000 | (0;000) | ✗ | 04/08/17 |
| VBiO4 | COD | 9000051 | Pbcn (60) | ✔ | 24 | 208 | 3 | 0.0 | 0.003 | 0.215 | (1;000) | ✗ | 04/08/17 |
| VBiO4 | COD | 9014682 | Pbcn (60) | ✔ | 24 | 208 | 3 | 2.3177 | 2.414 | 0.000 | (0;000) | ✗ | 04/08/17 |
| KBO2 | COD | 9015380 | R-3c (167) | ✔ | 24 | 144 | 1 | 4.2603 | 4.260 | 0.000 | (0;000) | ✗ | 04/08/17 |
| CdTe | ICSD | 246692 | Cmcm (63) | ✔ | 4 | 36 | 3 | 0.0 | 0.131 | 0.244 | (0;000) | ✗ | 27/01/17 |
| KBS2 | COD | 1510923 | R-3c (167) | ✔ | 24 | 144 | 1 | 2.6619 | 2.662 | 0.000 | (0;000) | ✗ | 04/08/17 |
| MnCuAs | ICSD | 423230 | P4/nmm (129) | ✔ | 6 | 62 | 3 | 0.0 | 0.000 | 0.811 | (1;000) | ✗ | 05/01/17 |
| MnCuAs | ICSD | 72413 | Pnma (62) | ✔ | 12 | 124 | 3 | 0.0 | 0.000 | 0.258 | (1;011) | ✗ | 05/01/17 |
| Li3BN2 | ICSD | 155127 | I4_1/amd (141) | ✔ | 24 | 88 | 1 | 3.346 | 3.346 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Li3BN2 | ICSD | 41022 | P2_1/c (14) | ✔ | 24 | 88 | 1 | 3.4359 | 3.802 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Na3BN2 | COD | 1511245 | P2_1/c (14) | ✔ | 24 | 160 | 1 | 1.7121 | 1.849 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Na3BP2 | COD | 8103467 | P2_1/c (14) | ✔ | 24 | 160 | 1 | 1.861 | 2.075 | 0.000 | (0;000) | ✗ | 04/08/17 |
| NaBO2 | COD | 9015516 | R-3c (167) | ✔ | 24 | 144 | 1 | 3.7128 | 3.713 | 0.000 | (0;000) | ✗ | 04/08/17 |
| NaBS2 | COD | 1510938 | R-3c (167) | ✔ | 24 | 144 | 1 | 2.4962 | 2.496 | 0.000 | (0;000) | ✗ | 04/08/17 |
| RbBO2 | COD | 2014187 | R-3c (167) | ✔ | 24 | 144 | 1 | 4.0852 | 4.085 | 0.000 | (0;000) | ✗ | 04/08/17 |
| SrBPd4 | ICSD | 247263 | Pnma (62) | ✔ | 24 | 340 | 3 | 0.0 | 0.000 | 0.582 | (1;011) | ✗ | 04/08/17 |
| CrAu4 | ICSD | 611737 | I4/m (87) | ✔ | 5 | 58 | 3 | 0.0 | 0.001 | 0.459 | (0;111) | ✗ | 05/01/17 |
| GaBr2 | ICSD | 62665 | Pnna (52) | ✔ | 24 | 216 | 1 | 2.928 | 3.007 | 0.000 | (0;000) | ✗ | 04/08/17 |
| GeBr2 | COD | 8103585 | P2_1/c (14) | ✔ | 24 | 144 | 2 | 2.608 | 2.634 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Na2CuAs | ICSD | 43937 | Cmcm (63) | ✔ | 8 | 68 | 1 | 0.6081 | 0.674 | 0.000 | (0;000) | ✗ | 05/01/17 |
| InBr2 | ICSD | 62240 | Pnna (52) | ✔ | 24 | 216 | 1 | 2.4035 | 2.404 | 0.000 | (0;000) | ✗ | 04/08/17 |
| TlBr2 | COD | 1527495 | Pnna (52) | ✔ | 24 | 216 | 1 | 2.2705 | 2.271 | 0.000 | (0;000) | ✗ | 04/08/17 |
| K2CuBr3 | ICSD | 150293 | Pnma (62) | ✔ | 24 | 200 | 1 | 1.9025 | 1.903 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Rb2CuBr3 | ICSD | 150295 | Pnma (62) | ✔ | 24 | 200 | 1 | 1.8467 | 1.847 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Hg2TeBr3 | ICSD | 417407 | P2_1/c (14) | ✔ | 24 | 204 | 3 | 1.8832 | 1.912 | 0.000 | (0;000) | ✗ | 04/08/17 |
| CsGaBr4 | ICSD | 4037 | Pnma (62) | ✔ | 24 | 200 | 1 | 3.931 | 3.931 | 0.000 | (0;000) | ✗ | 04/08/17 |
| ZrSiCuAs | ICSD | 42165 | P4/nmm (129) | ✔ | 8 | 48 | 3 | 0.0 | 0.015 | 0.079 | (0;001) | ✗ | 05/01/17 |
| TlFeBr4 | ICSD | 402064 | Pnna (52) | ✔ | 24 | 196 | 1 | 0.0 | 0.001 | 0.518 | (1;000) | ✗ | 04/08/17 |
| InGaBr4 | ICSD | 69652 | P2/c (13) | ✔ | 24 | 216 | 2 | 3.0369 | 3.128 | 0.000 | (0;000) | ✗ | 04/08/17 |
| LiGaBr4 | ICSD | 61337 | P2_1/c (14) | ✔ | 24 | 176 | 1 | 3.4986 | 3.499 | 0.000 | (0;000) | ✗ | 04/08/17 |
| NaGaBr4 | ICSD | 69650 | Pnma (62) | ✔ | 24 | 200 | 1 | 3.6083 | 3.608 | 0.000 | (0;000) | ✗ | 04/08/17 |
| KInBr4 | COD | 1004072 | Pnna (52) | ✔ | 24 | 200 | 1 | 2.8711 | 2.871 | 0.000 | (0;000) | ✗ | 04/08/17 |
| KTlBr4 | ICSD | 35418 | Pnna (52) | ✔ | 24 | 200 | 1 | 1.9455 | 1.946 | 0.000 | (0;000) | ✗ | 04/08/17 |
| WSBr4 | COD | 1527306 | P2_1/c (14) | ✔ | 24 | 248 | 1 | 1.1089 | 1.179 | 0.000 | (0;000) | ✗ | 04/08/17 |
| SbBr5F6 | ICSD | 69056 | C2/c (15) | ✔ | 24 | 164 | 3 | 1.5153 | 1.546 | 0.000 | (0;000) | ✗ | 04/08/17 |
| PBr5 | COD | 1528267 | Pbcm (57) | ✔ | 24 | 160 | 1 | 2.1153 | 2.243 | 0.000 | (0;000) | ✗ | 04/08/17 |
| LiCu2P | ICSD | 628282 | P-3m1 (164) | ✔ | 8 | 60 | 2 | 0.0 | 0.001 | 0.184 | (1;000) | ✗ | 27/01/17 |
| CdTe | ICSD | 620523 | Fm-3m (225) | ✔ | 2 | 18 | 3 | 0.0 | 0.000 | 0.272 | (1;000) | ✗ | 06/10/16 |
| TaTeBr9 | ICSD | 410949 | P2_1/m (11) | ✔ | 22 | 164 | 1 | 1.7715 | 1.828 | 0.000 | (0;000) | ✗ | 04/08/17 |
| RbBS2 | COD | 1510950 | R-3c (167) | ✔ | 24 | 144 | 1 | 2.7693 | 2.769 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Hg2P3Br | ICSD | 74770 | Pbcn (60) | ✔ | 24 | 184 | 3 | 0.9959 | 1.171 | 0.000 | (0;000) | ✗ | 04/08/17 |
| KBrO4 | COD | 4343799 | Pnma (62) | ✔ | 24 | 160 | 1 | 3.8377 | 3.880 | 0.000 | (0;000) | ✗ | 04/08/17 |