Plotting D Orbital Diagrams Using Matplotlib (or Seaborn)
guys, I'm a chemist and I've finished an experiment that gave me the energies of a metal d orbitals. It is relatively easy to get the correct proportion of energies in Excel 1 and
Solution 1:
You can draw anything you like deriving from basic shapes and functions in matplotlib. Energy levels could be simple marker
s, the texts can be produced by annotate
.
import numpy as np
import matplotlib.pyplot as plt
Energies = [-0.40008, -0.39583, -0.38466, -0.23478, -0.21239]
orbitals = ["$d_{z^2}$", "$d_{xy}$", "$d_{yz}$", "$d_{x^2 - y^2}$", "$d_{xz}$"]
x = np.arange(len(Energies))
fig, ax = plt.subplots()
ax.scatter(x, Energies, s=1444, marker="_", linewidth=3, zorder=3)
ax.grid(axis='y')
for xi,yi,tx in zip(x,Energies,orbitals):
ax.annotate(tx, xy=(xi,yi), xytext=(0,-4), size=18,
ha="center", va="top", textcoords="offset points")
ax.margins(0.2)
plt.show()
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