Plotting...
| ▹ Formula | ▴ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| AlNCl4 | COD | 9014852 | Pnma (62) | ✔ | 24 | 144 | 1 | 0.0 | 0.003 | 0.198 | (0;000) | ✗ | 04/08/17 |
| AlF3 | COD | 1000238 | Cmcm (63) | ✔ | 24 | 144 | 3 | 7.8409 | 7.841 | 0.000 | (0;000) | ✗ | 04/08/17 |
| RbAlF4 | COD | 1000457 | Pmmn (59) | ✔ | 24 | 160 | 1 | 7.3074 | 7.339 | 0.000 | (0;000) | ✗ | 04/08/17 |
| AlH3 | COD | 4307206 | Pnnm (58) | ✔ | 24 | 36 | 3 | 3.0316 | 3.383 | 0.000 | (0;000) | ✗ | 04/08/17 |
| NiAs2 | COD | 9000258 | Pbca (61) | ✔ | 24 | 160 | 3 | 0.0 | 0.008 | 0.281 | (0;000) | ✗ | 04/08/17 |
| Sr(AsO4)2 | COD | 9014488 | P-1 (2) | ✔ | 22 | 136 | 1 | 0.0 | 0.006 | 0.500 | (1;000) | ✗ | 04/08/17 |
| Cd(AsO4)4 | COD | 9014972 | P-1 (2) | ✔ | 21 | 128 | 2 | 0.0 | 0.005 | 0.517 | (0;100) | ✗ | 04/08/17 |
| BiAsO4 | COD | 9011234 | P2_1/c (14) | ✔ | 24 | 176 | 3 | 3.0064 | 3.123 | 0.000 | (0;000) | ✗ | 04/08/17 |
| AsPO4 | COD | 9009805 | Pnma (62) | ✔ | 24 | 136 | 3 | 4.9731 | 5.116 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Mg(AuF4)2 | COD | 1510402 | P2_1/c (14) | ✔ | 22 | 176 | 3 | 2.1334 | 2.147 | 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 |
| CsGa2Au3 | COD | 4329714 | Pnma (62) | ✔ | 24 | 272 | 3 | 0.0 | 0.031 | 0.373 | (1;000) | ✗ | 04/08/17 |
| Cd3Au | COD | 1510082 | P6_3cm (185) | ✗ | 24 | 282 | 3 | 0.0 | 0.000 | 0.689 | ? | ✗ | 04/08/17 |
| KAuCl4 | COD | 1510092 | P2_1/c (14) | ✔ | 24 | 192 | 1 | 1.4946 | 1.495 | 0.000 | (0;000) | ✗ | 04/08/17 |
| LiAuF4 | COD | 1510139 | P2/c (13) | ✔ | 24 | 168 | 1 | 2.1239 | 2.131 | 0.000 | (0;000) | ✗ | 04/08/17 |
| KAuI4 | COD | 1510186 | P2_1/c (14) | ✔ | 24 | 192 | 1 | 0.3927 | 0.397 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Te2Au | COD | 1011091 | Pma2 (28) | ✗ | 24 | 184 | 3 | 0.0 | 0.002 | 0.593 | ? | ✗ | 04/08/17 |
| K2B2S7 | COD | 1510733 | C2/c (15) | ✔ | 22 | 132 | 2 | 2.594 | 2.718 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Mg3(BO3)2 | COD | 9011448 | Pnnm (58) | ✔ | 22 | 144 | 3 | 5.4059 | 5.724 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Na2B2Se7 | COD | 1510772 | C2/c (15) | ✔ | 22 | 132 | 3 | 1.5748 | 1.694 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Sr3(BO3)2 | COD | 1100067 | R-3c (167) | ✔ | 22 | 144 | 1 | 4.6712 | 4.688 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Rb2B2Se7 | COD | 1510813 | C2/c (15) | ✔ | 22 | 132 | 2 | 1.852 | 1.932 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Tl2B2Se7 | COD | 1510832 | C2/c (15) | ✔ | 22 | 148 | 3 | 1.2078 | 1.298 | 0.000 | (0;000) | ✗ | 04/08/17 |
| NaB3H8 | COD | 4337144 | Pmn2_1 (31) | ✗ | 24 | 52 | 1 | 6.0511 | 6.152 | 0.000 | (0;000) | ✗ | 04/08/17 |
| YB4Mo | COD | 1511488 | Pbam (55) | ✔ | 24 | 148 | 3 | 0.0 | 0.113 | 0.250 | (0;000) | ✗ | 04/08/17 |
| ScNiB4 | COD | 1511495 | Pbam (55) | ✔ | 24 | 132 | 3 | 0.0 | 0.016 | 0.670 | (0;000) | ✗ | 04/08/17 |
| SrB4O7 | COD | 1511501 | Pmn2_1 (31) | ✗ | 24 | 128 | 3 | 4.9996 | 5.180 | 0.000 | (0;000) | ✗ | 04/08/17 |
| ZnB4O7 | COD | 1511503 | Cmcm (63) | ✔ | 24 | 132 | 3 | 5.6691 | 5.869 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Y3FeB7 | COD | 1511672 | Cmcm (63) | ✔ | 22 | 124 | 3 | 0.0 | 0.016 | 0.527 | (0;110) | ✗ | 04/08/17 |
| MgB9N | COD | 2012796 | R-3m (166) | ✔ | 22 | 84 | 3 | 1.6873 | 1.742 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Ba2MnO3 | COD | 2002251 | Cc (9) | ✗ | 24 | 212 | 3 | 0.0 | 0.000 | 0.113 | ? | ✗ | 04/08/17 |
| Ba2MnTe3 | COD | 7221357 | Pnma (62) | ✔ | 24 | 212 | 1 | 0.0 | 0.001 | 0.869 | (1;011) | ✗ | 04/08/17 |
| Ba5Ta4O15 | COD | 2106435 | P-3m1 (164) | ✔ | 24 | 192 | 1 | 0.3425 | 0.343 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Ba5Ta4O15 | COD | 2310386 | P-3m1 (164) | ✔ | 24 | 192 | 1 | 0.8298 | 0.831 | 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 |
| BaCrO4 | COD | 5910178 | Pnma (62) | ✔ | 24 | 192 | 1 | 4.1477 | 4.160 | 0.000 | (0;000) | ✗ | 04/08/17 |
| BaGa4Se7 | COD | 4316718 | Pc (7) | ✗ | 24 | 208 | 3 | 1.5971 | 1.597 | 0.000 | (0;000) | ✗ | 04/08/17 |
| BaHgO2 | COD | 2002491 | P6_322 (182) | ✗ | 24 | 204 | 1 | 2.1697 | 2.247 | 0.000 | (0;000) | ✗ | 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 |
| 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 |
| BePbF4 | COD | 5910280 | Pnma (62) | ✔ | 24 | 184 | 3 | 4.5631 | 4.701 | 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 |
| 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 |
| Ni3(BiS)2 | COD | 1525608 | C2/m (12) | ✔ | 14 | 144 | 3 | 0.0 | 0.030 | 0.821 | (1;111) | ✗ | 04/08/17 |
| Bi4Pb7Se13 | COD | 4340717 | C2/m (12) | ✔ | 24 | 236 | 3 | 0.0 | 0.056 | 0.089 | (1;111) | ✗ | 04/08/17 |
| NbBiO4 | COD | 1532718 | Pnna (52) | ✔ | 24 | 208 | 3 | 2.8013 | 2.921 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Fe(CO)5 | COD | 2310564 | C2/c (15) | ✔ | 22 | 116 | 2 | 3.6826 | 3.720 | 0.000 | (0;000) | ✗ | 04/08/17 |