Viewer

CIF file

# This CIF file was created by TO_anneal version 1.006

data_11_2_4363_bgbmin.cif
# energy = 0.244185
#FD = 25.62 T-atoms/1000 Angstroms^3

_cell_length_a           9.6368
_cell_length_b           11.6463
_cell_length_c           10.2315
_cell_angle_alpha        90.0000
_cell_angle_beta         164.2217
_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 0.35340 0.07200 0.49466
O O_11_1 0.85931 0.14118 0.00001
O O_11_2 0.50000 0.00000 0.50000
O O_12_1 0.15221 0.00000 0.43497
Si Si2 0.96267 0.12422 0.59264
O O_22_1 0.57906 0.12367 0.11749
O O_22_2 0.85013 0.25000 0.56680

_iza_sc_Energy_eV_TO2 = 0.244185

_iza_sc_FrameworkDensity = 25.621073

_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 
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
4.4.4.4.0.0

#MMJT_TO_anneal_parms 21 9.636792085 11.646289610 10.231468716 2.866209253 0.353398041 0.072002258 0.494664358 0.962670627 0.124224131 0.592641474 0.859312868 0.141175356 0.000009603 0.152209972 0.000000081 0.434965181 0.579062446 0.123673819 0.117488390 0.850125191 0.566800410 0.244184977
# Graph Descriptor
# 11
# 2
# 0 0 
# 5
# 0 4 0
# 0 13 0
# 0 13 1
# 1 4 1
# 1 18 1

Viewer

11_2_4363 Dupes Run TOTOPOL

CIF file