AFLOW Prototype: A2B_cP12_212_c_a-001
This structure originally had the label A2B_cP12_212_c_a. Calls to that address will be redirected here.
If you are using this page, please cite:
D. Hicks, M. J. Mehl, E. Gossett, C. Toher, O. Levy, R. M. Hanson, G. L. W. Hart, and S. Curtarolo, The AFLOW Library of Crystallographic Prototypes: Part 2, Comp. Mat. Sci. 161, S1-S1011 (2019). (doi=10.1016/j.commatsci.2018.10.043)
Links to this page
https://aflow.org/p/XX75
or
https://aflow.org/p/A2B_cP12_212_c_a-001
or
PDF Version
Prototype | Si$_{2}$Sr |
AFLOW prototype label | A2B_cP12_212_c_a-001 |
ICSD | 24145 |
Pearson symbol | cP12 |
Space group number | 212 |
Space group symbol | $P4_332$ |
AFLOW prototype command |
aflow --proto=A2B_cP12_212_c_a-001
--params=$a, \allowbreak x_{2}$ |
BaSi$_{2}$, BaSi$_{4}$Sr
Basis vectors
Lattice coordinates | Cartesian coordinates | Wyckoff position | Atom type | |||
---|---|---|---|---|---|---|
$\mathbf{B_{1}}$ | = | $\frac{1}{8} \, \mathbf{a}_{1}+\frac{1}{8} \, \mathbf{a}_{2}+\frac{1}{8} \, \mathbf{a}_{3}$ | = | $\frac{1}{8}a \,\mathbf{\hat{x}}+\frac{1}{8}a \,\mathbf{\hat{y}}+\frac{1}{8}a \,\mathbf{\hat{z}}$ | (4a) | Sr I |
$\mathbf{B_{2}}$ | = | $\frac{3}{8} \, \mathbf{a}_{1}+\frac{7}{8} \, \mathbf{a}_{2}+\frac{5}{8} \, \mathbf{a}_{3}$ | = | $\frac{3}{8}a \,\mathbf{\hat{x}}+\frac{7}{8}a \,\mathbf{\hat{y}}+\frac{5}{8}a \,\mathbf{\hat{z}}$ | (4a) | Sr I |
$\mathbf{B_{3}}$ | = | $\frac{7}{8} \, \mathbf{a}_{1}+\frac{5}{8} \, \mathbf{a}_{2}+\frac{3}{8} \, \mathbf{a}_{3}$ | = | $\frac{7}{8}a \,\mathbf{\hat{x}}+\frac{5}{8}a \,\mathbf{\hat{y}}+\frac{3}{8}a \,\mathbf{\hat{z}}$ | (4a) | Sr I |
$\mathbf{B_{4}}$ | = | $\frac{5}{8} \, \mathbf{a}_{1}+\frac{3}{8} \, \mathbf{a}_{2}+\frac{7}{8} \, \mathbf{a}_{3}$ | = | $\frac{5}{8}a \,\mathbf{\hat{x}}+\frac{3}{8}a \,\mathbf{\hat{y}}+\frac{7}{8}a \,\mathbf{\hat{z}}$ | (4a) | Sr I |
$\mathbf{B_{5}}$ | = | $x_{2} \, \mathbf{a}_{1}+x_{2} \, \mathbf{a}_{2}+x_{2} \, \mathbf{a}_{3}$ | = | $a x_{2} \,\mathbf{\hat{x}}+a x_{2} \,\mathbf{\hat{y}}+a x_{2} \,\mathbf{\hat{z}}$ | (8c) | Si I |
$\mathbf{B_{6}}$ | = | $- \left(x_{2} - \frac{1}{2}\right) \, \mathbf{a}_{1}- x_{2} \, \mathbf{a}_{2}+\left(x_{2} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $- a \left(x_{2} - \frac{1}{2}\right) \,\mathbf{\hat{x}}- a x_{2} \,\mathbf{\hat{y}}+a \left(x_{2} + \frac{1}{2}\right) \,\mathbf{\hat{z}}$ | (8c) | Si I |
$\mathbf{B_{7}}$ | = | $- x_{2} \, \mathbf{a}_{1}+\left(x_{2} + \frac{1}{2}\right) \, \mathbf{a}_{2}- \left(x_{2} - \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $- a x_{2} \,\mathbf{\hat{x}}+a \left(x_{2} + \frac{1}{2}\right) \,\mathbf{\hat{y}}- a \left(x_{2} - \frac{1}{2}\right) \,\mathbf{\hat{z}}$ | (8c) | Si I |
$\mathbf{B_{8}}$ | = | $\left(x_{2} + \frac{1}{2}\right) \, \mathbf{a}_{1}- \left(x_{2} - \frac{1}{2}\right) \, \mathbf{a}_{2}- x_{2} \, \mathbf{a}_{3}$ | = | $a \left(x_{2} + \frac{1}{2}\right) \,\mathbf{\hat{x}}- a \left(x_{2} - \frac{1}{2}\right) \,\mathbf{\hat{y}}- a x_{2} \,\mathbf{\hat{z}}$ | (8c) | Si I |
$\mathbf{B_{9}}$ | = | $\left(x_{2} + \frac{1}{4}\right) \, \mathbf{a}_{1}+\left(x_{2} + \frac{3}{4}\right) \, \mathbf{a}_{2}- \left(x_{2} - \frac{3}{4}\right) \, \mathbf{a}_{3}$ | = | $a \left(x_{2} + \frac{1}{4}\right) \,\mathbf{\hat{x}}+a \left(x_{2} + \frac{3}{4}\right) \,\mathbf{\hat{y}}- a \left(x_{2} - \frac{3}{4}\right) \,\mathbf{\hat{z}}$ | (8c) | Si I |
$\mathbf{B_{10}}$ | = | $- \left(x_{2} - \frac{1}{4}\right) \, \mathbf{a}_{1}- \left(x_{2} - \frac{1}{4}\right) \, \mathbf{a}_{2}- \left(x_{2} - \frac{1}{4}\right) \, \mathbf{a}_{3}$ | = | $- a \left(x_{2} - \frac{1}{4}\right) \,\mathbf{\hat{x}}- a \left(x_{2} - \frac{1}{4}\right) \,\mathbf{\hat{y}}- a \left(x_{2} - \frac{1}{4}\right) \,\mathbf{\hat{z}}$ | (8c) | Si I |
$\mathbf{B_{11}}$ | = | $\left(x_{2} + \frac{3}{4}\right) \, \mathbf{a}_{1}- \left(x_{2} - \frac{3}{4}\right) \, \mathbf{a}_{2}+\left(x_{2} + \frac{1}{4}\right) \, \mathbf{a}_{3}$ | = | $a \left(x_{2} + \frac{3}{4}\right) \,\mathbf{\hat{x}}- a \left(x_{2} - \frac{3}{4}\right) \,\mathbf{\hat{y}}+a \left(x_{2} + \frac{1}{4}\right) \,\mathbf{\hat{z}}$ | (8c) | Si I |
$\mathbf{B_{12}}$ | = | $- \left(x_{2} - \frac{3}{4}\right) \, \mathbf{a}_{1}+\left(x_{2} + \frac{1}{4}\right) \, \mathbf{a}_{2}+\left(x_{2} + \frac{3}{4}\right) \, \mathbf{a}_{3}$ | = | $- a \left(x_{2} - \frac{3}{4}\right) \,\mathbf{\hat{x}}+a \left(x_{2} + \frac{1}{4}\right) \,\mathbf{\hat{y}}+a \left(x_{2} + \frac{3}{4}\right) \,\mathbf{\hat{z}}$ | (8c) | Si I |