You can not select more than 25 topics
Topics must start with a letter or number, can include dashes ('-') and can be up to 35 characters long.
19 lines
480 B
19 lines
480 B
import numpy as np |
|
|
|
from cmmde_cubic import SimpleCubicFactory |
|
|
|
|
|
# The L1_2 structure is "based on FCC", but is really simple cubic |
|
# with a basis. |
|
class AuCu3Factory(SimpleCubicFactory): |
|
"A factory for creating AuCu3 (L1_2) lattices." |
|
|
|
atomic_basis = np.array([[0., 0., 0.], |
|
[0., .5, .5], |
|
[.5, 0., .5], |
|
[.5, .5, 0.]]) |
|
|
|
element_basis = [0, 1, 1, 1] |
|
|
|
|
|
AuCu3 = L1_2 = AuCu3Factory()
|
|
|