

In [1]:

    
%matplotlib inline



In [2]:

    
nodes, edges = [], []

创建一个(111)面



In [3]:

    
from catplot.grid_components.nodes import Node2D
from catplot.grid_components.edges import Edge2D

top 位



In [4]:

    
top = Node2D([0.0, 0.0], size=800, color="#2A6A9C")

# 辅助top位
t1 = top.clone([0.0, 1.0])
t2 = top.clone([1.0, 0.0])
t3 = top.clone([1.0, 1.0])



In [5]:

    
te1 = Edge2D(top, t1, width=5)
te2 = Edge2D(top, t2, width=5)
te3 = Edge2D(t1, t2, width=5)



In [6]:

    
nodes.append(top)
edges.extend([te1, te2, te3])

bridge位



In [7]:

    
bridge1 = Node2D([0.0, 0.5], style="s", size=600, color="#5A5A5A", alpha=0.6)
bridge2 = Node2D([0.5, 0.0], style="s", size=600, color="#5A5A5A", alpha=0.6)
bridge3 = Node2D([0.5, 0.5], style="s", size=600, color="#5A5A5A", alpha=0.6)

# 辅助bridge位
b1 = Node2D([0.5, 1.0])
b2 = Node2D([1.0, 0.5])



In [8]:

    
be1 = Edge2D(bridge1, bridge2)
be2 = Edge2D(bridge1, bridge3)
be3 = Edge2D(bridge2, bridge3)
be4 = Edge2D(bridge3, b2)
be5 = Edge2D(b2, b1)
be6 = Edge2D(bridge3, b1)



In [9]:

    
nodes.extend([bridge1, bridge2, bridge3])
edges.extend([be1, be2, be3, be4, be5, be6])

hollow 位



In [10]:

    
hollow1 = Node2D([1/3., 1./3], style="h", size=700, color="#5A5A5A", alpha=0.3)
hollow2 = Node2D([2/3., 2./3], style="h", size=700, color="#5A5A5A", alpha=0.3)



In [11]:

    
nodes.extend([hollow1, hollow2])

绘制重复单元



In [12]:

    
from catplot.grid_components.supercell import SuperCell2D
from math import sqrt



In [13]:

    
supercell = SuperCell2D(nodes, edges, cell_vectors=[[1.0, 0.0],
                                                    [0.5, sqrt(3)/2]])



In [14]:

    
from catplot.grid_components.grid_canvas import Grid2DCanvas



In [15]:

    
canvas = Grid2DCanvas()
canvas.add_supercell(supercell)



In [16]:

    
canvas.draw()
canvas.figure









    Out[16]:

扩展



In [17]:

    
canvas_big = Grid2DCanvas(figsize=(30, 20), dpi=60)



In [18]:

    
expanded_supercell = supercell.expand(4, 4)



In [19]:

    
canvas_big.add_supercell(expanded_supercell)



In [20]:

    
canvas_big.draw()
canvas_big.figure









    Out[20]: