AFLOW Prototype: A_oP16_55_2g2h
Prototype | : | C |
AFLOW prototype label | : | A_oP16_55_2g2h |
Strukturbericht designation | : | None |
Pearson symbol | : | oP16 |
Space group number | : | 55 |
Space group symbol | : | $Pbam$ |
AFLOW prototype command | : | aflow --proto=A_oP16_55_2g2h --params=$a$,$b/a$,$c/a$,$x_{1}$,$y_{1}$,$x_{2}$,$y_{2}$,$x_{3}$,$y_{3}$,$x_{4}$,$y_{4}$ |
superhardallotrope of carbon. Shortly after this paper was published, another paper predicted a similar phase, called
H–carbon(He, 2012). The similarity between the two structures can be seen by shifting the origin by $\left(1/2\right) \mathbf{a}_{1}$. Other sources (Zhao, 2012) refer to this structure as
O–carbon.
Basis vectors:
\[ \begin{array}{ccccccc} & & \text{Lattice Coordinates} & & \text{Cartesian Coordinates} &\text{Wyckoff Position} & \text{Atom Type} \\ \mathbf{B}_{1} & = & x_{1} \, \mathbf{a}_{1} + y_{1} \, \mathbf{a}_{2} & = & x_{1}a \, \mathbf{\hat{x}} + y_{1}b \, \mathbf{\hat{y}} & \left(4g\right) & \text{C I} \\ \mathbf{B}_{2} & = & -x_{1} \, \mathbf{a}_{1}-y_{1} \, \mathbf{a}_{2} & = & -x_{1}a \, \mathbf{\hat{x}}-y_{1}b \, \mathbf{\hat{y}} & \left(4g\right) & \text{C I} \\ \mathbf{B}_{3} & = & \left(\frac{1}{2} - x_{1}\right) \, \mathbf{a}_{1} + \left(\frac{1}{2} +y_{1}\right) \, \mathbf{a}_{2} & = & \left(\frac{1}{2} - x_{1}\right)a \, \mathbf{\hat{x}} + \left(\frac{1}{2} +y_{1}\right)b \, \mathbf{\hat{y}} & \left(4g\right) & \text{C I} \\ \mathbf{B}_{4} & = & \left(\frac{1}{2} +x_{1}\right) \, \mathbf{a}_{1} + \left(\frac{1}{2} - y_{1}\right) \, \mathbf{a}_{2} & = & \left(\frac{1}{2} +x_{1}\right)a \, \mathbf{\hat{x}} + \left(\frac{1}{2} - y_{1}\right)b \, \mathbf{\hat{y}} & \left(4g\right) & \text{C I} \\ \mathbf{B}_{5} & = & x_{2} \, \mathbf{a}_{1} + y_{2} \, \mathbf{a}_{2} & = & x_{2}a \, \mathbf{\hat{x}} + y_{2}b \, \mathbf{\hat{y}} & \left(4g\right) & \text{C II} \\ \mathbf{B}_{6} & = & -x_{2} \, \mathbf{a}_{1}-y_{2} \, \mathbf{a}_{2} & = & -x_{2}a \, \mathbf{\hat{x}}-y_{2}b \, \mathbf{\hat{y}} & \left(4g\right) & \text{C II} \\ \mathbf{B}_{7} & = & \left(\frac{1}{2} - x_{2}\right) \, \mathbf{a}_{1} + \left(\frac{1}{2} +y_{2}\right) \, \mathbf{a}_{2} & = & \left(\frac{1}{2} - x_{2}\right)a \, \mathbf{\hat{x}} + \left(\frac{1}{2} +y_{2}\right)b \, \mathbf{\hat{y}} & \left(4g\right) & \text{C II} \\ \mathbf{B}_{8} & = & \left(\frac{1}{2} +x_{2}\right) \, \mathbf{a}_{1} + \left(\frac{1}{2} - y_{2}\right) \, \mathbf{a}_{2} & = & \left(\frac{1}{2} +x_{2}\right)a \, \mathbf{\hat{x}} + \left(\frac{1}{2} - y_{2}\right)b \, \mathbf{\hat{y}} & \left(4g\right) & \text{C II} \\ \mathbf{B}_{9} & = & x_{3} \, \mathbf{a}_{1} + y_{3} \, \mathbf{a}_{2} + \frac{1}{2} \, \mathbf{a}_{3} & = & x_{3}a \, \mathbf{\hat{x}} + y_{3}b \, \mathbf{\hat{y}} + \frac{1}{2}c \, \mathbf{\hat{z}} & \left(4h\right) & \text{C III} \\ \mathbf{B}_{10} & = & -x_{3} \, \mathbf{a}_{1}-y_{3} \, \mathbf{a}_{2} + \frac{1}{2} \, \mathbf{a}_{3} & = & -x_{3}a \, \mathbf{\hat{x}}-y_{3}b \, \mathbf{\hat{y}} + \frac{1}{2}c \, \mathbf{\hat{z}} & \left(4h\right) & \text{C III} \\ \mathbf{B}_{11} & = & \left(\frac{1}{2} - x_{3}\right) \, \mathbf{a}_{1} + \left(\frac{1}{2} +y_{3}\right) \, \mathbf{a}_{2} + \frac{1}{2} \, \mathbf{a}_{3} & = & \left(\frac{1}{2} - x_{3}\right)a \, \mathbf{\hat{x}} + \left(\frac{1}{2} +y_{3}\right)b \, \mathbf{\hat{y}} + \frac{1}{2}c \, \mathbf{\hat{z}} & \left(4h\right) & \text{C III} \\ \mathbf{B}_{12} & = & \left(\frac{1}{2} +x_{3}\right) \, \mathbf{a}_{1} + \left(\frac{1}{2} - y_{3}\right) \, \mathbf{a}_{2} + \frac{1}{2} \, \mathbf{a}_{3} & = & \left(\frac{1}{2} +x_{3}\right)a \, \mathbf{\hat{x}} + \left(\frac{1}{2} - y_{3}\right)b \, \mathbf{\hat{y}} + \frac{1}{2}c \, \mathbf{\hat{z}} & \left(4h\right) & \text{C III} \\ \mathbf{B}_{13} & = & x_{4} \, \mathbf{a}_{1} + y_{4} \, \mathbf{a}_{2} + \frac{1}{2} \, \mathbf{a}_{3} & = & x_{4}a \, \mathbf{\hat{x}} + y_{4}b \, \mathbf{\hat{y}} + \frac{1}{2}c \, \mathbf{\hat{z}} & \left(4h\right) & \text{C IV} \\ \mathbf{B}_{14} & = & -x_{4} \, \mathbf{a}_{1}-y_{4} \, \mathbf{a}_{2} + \frac{1}{2} \, \mathbf{a}_{3} & = & -x_{4}a \, \mathbf{\hat{x}}-y_{4}b \, \mathbf{\hat{y}} + \frac{1}{2}c \, \mathbf{\hat{z}} & \left(4h\right) & \text{C IV} \\ \mathbf{B}_{15} & = & \left(\frac{1}{2} - x_{4}\right) \, \mathbf{a}_{1} + \left(\frac{1}{2} +y_{4}\right) \, \mathbf{a}_{2} + \frac{1}{2} \, \mathbf{a}_{3} & = & \left(\frac{1}{2} - x_{4}\right)a \, \mathbf{\hat{x}} + \left(\frac{1}{2} +y_{4}\right)b \, \mathbf{\hat{y}} + \frac{1}{2}c \, \mathbf{\hat{z}} & \left(4h\right) & \text{C IV} \\ \mathbf{B}_{16} & = & \left(\frac{1}{2} +x_{4}\right) \, \mathbf{a}_{1} + \left(\frac{1}{2} - y_{4}\right) \, \mathbf{a}_{2} + \frac{1}{2} \, \mathbf{a}_{3} & = & \left(\frac{1}{2} +x_{4}\right)a \, \mathbf{\hat{x}} + \left(\frac{1}{2} - y_{4}\right)b \, \mathbf{\hat{y}} + \frac{1}{2}c \, \mathbf{\hat{z}} & \left(4h\right) & \text{C IV} \\ \end{array} \]