SCSD model generated from
precomputed
using D
2h
symmetry, available as
2Fe2S
Table 1; Model atom positions
x
y
z
at
-1.5715
0.0
0.0
Fe
1.5715
-0.0
-0.0
Fe
-0.0
-1.441
0.0
S
0.0
1.441
0.0
S
Copy Table
Figure 2; Model atom positions and symmetry operations
show SCSD values
#2Fe2S 20260119 model_objs_dict['2Fe2S'] = scsd_model('2Fe2S', array([['-1.5715', '0.0', '0.0', 'Fe'], ['1.5715', '-0.0', '-0.0', 'Fe'], ['-0.0', '-1.441', '0.0', 'S'], ['0.0', '1.441', '0.0', 'S']]), 'D2h' , maxdist = 2.24, mondrian_limits = [-1.0, -1.0])