Viewer

CIF file

# This CIF file was created by TO_anneal version 1.007

data_11_1_17_bgbmin.cif
# energy = 0.130047
#FD = 17.36 T-atoms/1000 Angstroms^3

_cell_length_a           10.1153
_cell_length_b           5.2175
_cell_length_c           12.0457
_cell_angle_alpha        90.0000
_cell_angle_beta         169.5569
_cell_angle_gamma        90.0000
_symmetry_space_group_name_H-M  'P 21/m'
_symmetry_Int_Tables_number 11

loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Si Si1 0.38745 0.25000 0.26842
O O_11_1 0.24547 0.25000 0.01646
O O_11_2 1.00000 0.00000 1.00000

_iza_sc_Energy_eV_TO2 = 0.130047

_iza_sc_FrameworkDensity = 17.356404

_iza_sc_avgTD10 = 221.000

loop_
_iza_sc_CoordinationSequence
1 4 8 12 16 20 24 28 32 36 40 44 48 52 56 60

loop_
_iza_sc_VertexSymbols
4.4.4.4.0.0

#MMJT_TO_anneal_parms 8 10.115349201 5.217481763 12.045658996 2.959326873 0.387447219 0.268423018 0.245466554 0.016457647 0.130046950
# Graph Descriptor
# 11
# 1
# 10 
# 2
# 0 4 0
# 0 9 0

Viewer

11_1_17 Dupes Run TOTOPOL

CIF file