| Name | Pearson | Atoms | Volume | E-Eα | Comments | Links |
|---|---|---|---|---|---|---|
| α-T | tP50 | 50 | 7.67 | 91.91 | full occupation | figure, coordinates |
| β-T | tP196 | 192 | 7.53 | 15.13 | optimized occupation | figure, coordinates |
| β-R | hR105 | 105 | 7.72 | 25.87 | B13abcdef | figure, coordinates |
| α-R | hR12 | 96 | 7.18 | 0.00 | 2x2x2 supercell | figure, coordinates |
| β-R | hR111 | 105 | 7.69 | 13.02 | B13bcdefB16a | figure, coordinates |
| β-R | hR111 | 106 | 7.64 | 0.15 | B13bcdefB16bd | figure, coordinates |
| β-R | hR141 | 107 | 7.57 | -0.86 | B13bcefB16bdB17aB18a | figure, coordinates |
| β-R | hR141 | 108 | 7.56 | 1.48 | B13bcefB16acdB17aB18a | figure, coordinates |
| 2x1x1 | aP282 | 214 | 7.57 | -1.75 | optimized supercell | figure, coordinates |
