| op_index | Seitz | coordinate | spin_expr | space_expr |
|---|---|---|---|---|
| 1 | $\left\{1||1|0 0 0\right\}$ | $(x,y,z,+1,u,v,w)$ | $$\begin{bmatrix}1 & 0 & 0 \\ 0 & 1 & 0 \\ 0 & 0 & 1\end{bmatrix}$$ | $$\left[\begin{array}{ccc|c}1 & 0 & 0 & 0 \\ 0 & 1 & 0 & 0 \\ 0 & 0 & 1 & 0\end{array}\right]$$ |
| op_index | Seitz | coordinate | spin_expr | space_expr |
|---|---|---|---|---|
| 1 | $\left\{1||1|0 0 0\right\}$ | $(x,y,z,+1,u,v,w)$ | $$\begin{bmatrix}1 & 0 & 0 \\ 0 & 1 & 0 \\ 0 & 0 & 1\end{bmatrix}$$ | $$\left[\begin{array}{ccc|c}1 & 0 & 0 & 0 \\ 0 & 1 & 0 & 0 \\ 0 & 0 & 1 & 0\end{array}\right]$$ |
| 2 | $\left\{\ce{^{\infty}{1}}||1|0 0 0\right\}$ | $(x,y,z,+1,\cos(\phi) u - \sin(\phi) v,\sin(\phi) u + \cos(\phi) v,w)$ | $$\begin{bmatrix}\cos(\phi) & -\sin(\phi) & 0 \\ \sin(\phi) & \cos(\phi) & 0 \\ 0 & 0 & 1\end{bmatrix}$$ | $$\left[\begin{array}{ccc|c}1 & 0 & 0 & 0 \\ 0 & 1 & 0 & 0 \\ 0 & 0 & 1 & 0\end{array}\right]$$ |
| 3 | $\left\{\ce{^{m_{100}}{1}}||1|0 0 0\right\}$ | $(x,y,z,-1,-u,v,w)$ | $$\begin{bmatrix}-1 & 0 & 0 \\ 0 & 1 & 0 \\ 0 & 0 & 1\end{bmatrix}$$ | $$\left[\begin{array}{ccc|c}1 & 0 & 0 & 0 \\ 0 & 1 & 0 & 0 \\ 0 & 0 & 1 & 0\end{array}\right]$$ |
| op_index | Seitz | coordinate | spin_expr | space_expr |
|---|---|---|---|---|
| 1 | $\left\{1||1|0 0 0\right\}$ | $(x,y,z,+1,u,v,w)$ | $$\begin{bmatrix}1 & 0 & 0 \\ 0 & 1 & 0 \\ 0 & 0 & 1\end{bmatrix}$$ | $$\left[\begin{array}{ccc|c}1 & 0 & 0 & 0 \\ 0 & 1 & 0 & 0 \\ 0 & 0 & 1 & 0\end{array}\right]$$ |
| op_index | Seitz | coordinate | spin_expr | space_expr |
|---|---|---|---|---|
| 1 | $\left\{1||1|0 0 0\right\}$ | $(x,y,z,+1,u,v,w)$ | $$\begin{bmatrix}1 & 0 & 0 \\ 0 & 1 & 0 \\ 0 & 0 & 1\end{bmatrix}$$ | $$\left[\begin{array}{ccc|c}1 & 0 & 0 & 0 \\ 0 & 1 & 0 & 0 \\ 0 & 0 & 1 & 0\end{array}\right]$$ |
| 2 | $\left\{1||m_{010}|0 0 0\right\}$ | $(x,-y,z,+1,u,v,w)$ | $$\begin{bmatrix}1 & 0 & 0 \\ 0 & 1 & 0 \\ 0 & 0 & 1\end{bmatrix}$$ | $$\left[\begin{array}{ccc|c}1 & 0 & 0 & 0 \\ 0 & -1 & 0 & 0 \\ 0 & 0 & 1 & 0\end{array}\right]$$ |
| op_index | Seitz | coordinate | spin_expr | space_expr |
|---|---|---|---|---|
| 1 | $\left\{1||1|0 0 0\right\}$ | $(x,y,z,+1,u,v,w)$ | $$\begin{bmatrix}1 & 0 & 0 \\ 0 & 1 & 0 \\ 0 & 0 & 1\end{bmatrix}$$ | $$\left[\begin{array}{ccc|c}1 & 0 & 0 & 0 \\ 0 & 1 & 0 & 0 \\ 0 & 0 & 1 & 0\end{array}\right]$$ |
| 2 | $\left\{1||m_{010}|0 0 0\right\}$ | $(x,-y,z,+1,u,v,w)$ | $$\begin{bmatrix}1 & 0 & 0 \\ 0 & 1 & 0 \\ 0 & 0 & 1\end{bmatrix}$$ | $$\left[\begin{array}{ccc|c}1 & 0 & 0 & 0 \\ 0 & -1 & 0 & 0 \\ 0 & 0 & 1 & 0\end{array}\right]$$ |
| op_index | Seitz | coordinate | spin_expr | space_expr |
|---|---|---|---|---|
| 1 | $\left\{\ce{^{\infty}{1}}||1|0 0 0\right\}$ | $(x,y,z,+1,\cos(\phi) u - \sin(\phi) v,\sin(\phi) u + \cos(\phi) v,w)$ | $$\begin{bmatrix}\cos(\phi) & -\sin(\phi) & 0 \\ \sin(\phi) & \cos(\phi) & 0 \\ 0 & 0 & 1\end{bmatrix}$$ | $$\left[\begin{array}{ccc|c}1 & 0 & 0 & 0 \\ 0 & 1 & 0 & 0 \\ 0 & 0 & 1 & 0\end{array}\right]$$ |
| 2 | $\left\{\ce{^{m_{100}}{1}}||1|0 0 0\right\}$ | $(x,y,z,-1,-u,v,w)$ | $$\begin{bmatrix}-1 & 0 & 0 \\ 0 & 1 & 0 \\ 0 & 0 & 1\end{bmatrix}$$ | $$\left[\begin{array}{ccc|c}1 & 0 & 0 & 0 \\ 0 & 1 & 0 & 0 \\ 0 & 0 & 1 & 0\end{array}\right]$$ |
| wyckoff position | site symmetry | Coordinates |
|---|---|---|
| $(0,0,0\mid mx,my,mz)$ | ||
2c |
$(x,y,z\mid 0,0,mx),(x,-y,z\mid 0,0,mx)$ | |
1b |
$(x,\frac{1}{2},z\mid 0,0,mx)$ | |
1a |
$(x,0,z\mid 0,0,mx)$ |
| op_index | Seitz | coordinate | spin_expr | space_expr |
|---|---|---|---|---|
| 1 | $\left\{1||1|0 0 0\right\}$ | $(x,y,z,+1,u,v,w)$ | $$\begin{bmatrix}1 & 0 & 0 \\ 0 & 1 & 0 \\ 0 & 0 & 1\end{bmatrix}$$ | $$\left[\begin{array}{ccc|c}1 & 0 & 0 & 0 \\ 0 & 1 & 0 & 0 \\ 0 & 0 & 1 & 0\end{array}\right]$$ |
| op_index | Seitz | coordinate | spin_expr | space_expr |
|---|---|---|---|---|
| 1 | $\left\{\ce{^{\infty}{1}}||1|0 0 0\right\}$ | $(x,y,z,+1,\cos(\phi) u - \sin(\phi) v,\sin(\phi) u + \cos(\phi) v,w)$ | $$\begin{bmatrix}\cos(\phi) & -\sin(\phi) & 0 \\ \sin(\phi) & \cos(\phi) & 0 \\ 0 & 0 & 1\end{bmatrix}$$ | $$\left[\begin{array}{ccc|c}1 & 0 & 0 & 0 \\ 0 & 1 & 0 & 0 \\ 0 & 0 & 1 & 0\end{array}\right]$$ |
| 2 | $\left\{\ce{^{m_{100}}{1}}||1|0 0 0\right\}$ | $(x,y,z,-1,-u,v,w)$ | $$\begin{bmatrix}-1 & 0 & 0 \\ 0 & 1 & 0 \\ 0 & 0 & 1\end{bmatrix}$$ | $$\left[\begin{array}{ccc|c}1 & 0 & 0 & 0 \\ 0 & 1 & 0 & 0 \\ 0 & 0 & 1 & 0\end{array}\right]$$ |
| op_index | Seitz | coordinate | spin_expr | space_expr |
|---|---|---|---|---|
| 1 | $\left\{1||1|0 0 0\right\}$ | $(x,y,z,+1,u,v,w)$ | $$\begin{bmatrix}1 & 0 & 0 \\ 0 & 1 & 0 \\ 0 & 0 & 1\end{bmatrix}$$ | $$\left[\begin{array}{ccc|c}1 & 0 & 0 & 0 \\ 0 & 1 & 0 & 0 \\ 0 & 0 & 1 & 0\end{array}\right]$$ |
| 2 | $\left\{1||m_{010}|0 0 0\right\}$ | $(x,-y,z,+1,u,v,w)$ | $$\begin{bmatrix}1 & 0 & 0 \\ 0 & 1 & 0 \\ 0 & 0 & 1\end{bmatrix}$$ | $$\left[\begin{array}{ccc|c}1 & 0 & 0 & 0 \\ 0 & -1 & 0 & 0 \\ 0 & 0 & 1 & 0\end{array}\right]$$ |
| op_index | Seitz | coordinate | spin_expr | space_expr |
|---|---|---|---|---|
| 1 | $\left\{\ce{^{\infty}{1}}||1|0 0 0\right\}$ | $(x,y,z,+1,\cos(\phi) u - \sin(\phi) v,\sin(\phi) u + \cos(\phi) v,w)$ | $$\begin{bmatrix}\cos(\phi) & -\sin(\phi) & 0 \\ \sin(\phi) & \cos(\phi) & 0 \\ 0 & 0 & 1\end{bmatrix}$$ | $$\left[\begin{array}{ccc|c}1 & 0 & 0 & 0 \\ 0 & 1 & 0 & 0 \\ 0 & 0 & 1 & 0\end{array}\right]$$ |
| 2 | $\left\{\ce{^{m_{100}}{1}}||1|0 0 0\right\}$ | $(x,y,z,-1,-u,v,w)$ | $$\begin{bmatrix}-1 & 0 & 0 \\ 0 & 1 & 0 \\ 0 & 0 & 1\end{bmatrix}$$ | $$\left[\begin{array}{ccc|c}1 & 0 & 0 & 0 \\ 0 & 1 & 0 & 0 \\ 0 & 0 & 1 & 0\end{array}\right]$$ |
| op_index | Seitz | coordinate | spin_expr | space_expr |
|---|---|---|---|---|
| 1 | $\left\{1||1|0 0 0\right\}$ | $(x,y,z,+1,u,v,w)$ | $$\begin{bmatrix}1 & 0 & 0 \\ 0 & 1 & 0 \\ 0 & 0 & 1\end{bmatrix}$$ | $$\left[\begin{array}{ccc|c}1 & 0 & 0 & 0 \\ 0 & 1 & 0 & 0 \\ 0 & 0 & 1 & 0\end{array}\right]$$ |
| 2 | $\left\{1||m_{010}|0 0 0\right\}$ | $(x,-y,z,+1,u,v,w)$ | $$\begin{bmatrix}1 & 0 & 0 \\ 0 & 1 & 0 \\ 0 & 0 & 1\end{bmatrix}$$ | $$\left[\begin{array}{ccc|c}1 & 0 & 0 & 0 \\ 0 & -1 & 0 & 0 \\ 0 & 0 & 1 & 0\end{array}\right]$$ |
| op_index | Seitz | coordinate | spin_expr | space_expr |
|---|---|---|---|---|
| 1 | $\left\{\ce{^{\infty}{1}}||1|0 0 0\right\}$ | $(x,y,z,+1,\cos(\phi) u - \sin(\phi) v,\sin(\phi) u + \cos(\phi) v,w)$ | $$\begin{bmatrix}\cos(\phi) & -\sin(\phi) & 0 \\ \sin(\phi) & \cos(\phi) & 0 \\ 0 & 0 & 1\end{bmatrix}$$ | $$\left[\begin{array}{ccc|c}1 & 0 & 0 & 0 \\ 0 & 1 & 0 & 0 \\ 0 & 0 & 1 & 0\end{array}\right]$$ |
| 2 | $\left\{\ce{^{m_{100}}{1}}||1|0 0 0\right\}$ | $(x,y,z,-1,-u,v,w)$ | $$\begin{bmatrix}-1 & 0 & 0 \\ 0 & 1 & 0 \\ 0 & 0 & 1\end{bmatrix}$$ | $$\left[\begin{array}{ccc|c}1 & 0 & 0 & 0 \\ 0 & 1 & 0 & 0 \\ 0 & 0 & 1 & 0\end{array}\right]$$ |