Viewer

CIF file

# This CIF file was created by TO_anneal version 1.009

data_225_2_4_bgbmin.cif
# energy = 0.004111
#FD = 13.15 T-atoms/1000 Angstroms^3

_cell_length_a           30.7963
_cell_length_b           30.7963
_cell_length_c           30.7963
_cell_angle_alpha        90.0000
_cell_angle_beta         90.0000
_cell_angle_gamma        90.0000
_symmetry_space_group_name_H-M  'F m -3 m'
_symmetry_Int_Tables_number 225

loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Si Si1 0.30663 0.12234 0.05142
O O_11_1 0.29951 0.11442 0.00000
O O_11_2 0.35166 0.14834 0.05935
O O_11_3 0.30883 0.07579 0.07579
O O_12_1 0.26635 0.15022 0.07042
Si Si2 0.25060 0.18016 0.11062
O O_22_1 0.29109 0.20891 0.12809
O O_22_2 0.21209 0.21209 0.09435
O O_22_3 0.23274 0.14948 0.14948

_iza_sc_Energy_eV_TO2 = 0.004111

_iza_sc_FrameworkDensity = 13.147255

_iza_sc_avgTD10 = 589.500

loop_
_iza_sc_CoordinationSequence
1 4 9 17 28 41 56 73 93 117 146 180 216 253 291 329 
1 4 9 16 25 37 53 74 99 125 151 177 205 238 279 328

loop_
_iza_sc_VertexSymbols
4.4.4.8.6.8
4.4.4.6.6.8

#MMJT_TO_anneal_parms 22 30.796311832 0.306634663 0.122336418 0.051422908 0.250600192 0.180162997 0.110619698 0.299512920 0.114424592 0.148339452 0.059354440 0.308827759 0.075789086 0.266351345 0.150222454 0.070424558 0.208908548 0.128088954 0.212088100 0.094352851 0.232737208 0.149478331 0.004111016
# Graph Descriptor
# 225
# 2
# 0 0 
# 7
# 0 54 0
# 0 75 0
# 0 89 0
# 0 0 1
# 1 75 1
# 1 76 1
# 1 89 1

Viewer

225_2_4 Dupes Run TOTOPOL

CIF file