Viewer

CIF file

# This CIF file was created by TO_anneal version 1.009

data_70_2_307492_bgbmin.cif
# energy = 0.878840
#FD = 33.33 T-atoms/1000 Angstroms^3

_cell_length_a           24.0328
_cell_length_b           17.0431
_cell_length_c           4.6876
_cell_angle_alpha        90.0000
_cell_angle_beta         90.0000
_cell_angle_gamma        90.0000
_space_group_name_H-M_alt  'F d d d:1'
_symmetry_Int_Tables_number 70

loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Si Si1 0.05514 0.05597 0.19860
O O_11_1 0.00000 0.07042 1.00000
O O_11_2 0.09293 0.00000 1.00000
O O_11_3 0.05180 0.00000 0.50000
O O_12_1 0.07647 0.15336 0.23263
Si Si2 0.06440 0.16730 0.56135
O O_22_1 0.00000 0.13330 0.50000
O O_22_2 0.06330 0.25000 0.75000
O O_22_3 0.12500 0.12500 0.62500

_iza_sc_Energy_eV_TO2 = 0.878840

_iza_sc_FrameworkDensity = 33.333333

_iza_sc_avgTD10 = 1639.000

loop_
_iza_sc_CoordinationSequence
1 4 11 23 49 93 147 203 273 357 445 544 654 771 904 1043 
1 4 12 30 61 99 152 213 282 364 454 551 665 783 909 1052

loop_
_iza_sc_VertexSymbols
4.6_{3}.6.6_{3}.6.6_{3}
6.6_{4}.6.8_{6}.8_{2}.8_{2}

#MMJT_TO_anneal_parms 17 24.032768634 17.043135585 4.687571750 0.055140854 0.055968707 0.198597200 0.064397621 0.167304132 0.561345873 0.070419685 0.092925534 0.051802902 0.076466347 0.153363245 0.232626796 0.133299880 0.063295505 0.878839521
# Graph Descriptor
# 70
# 2
# 0 0 
# 7
# 0 8 0
# 0 11 0
# 0 12 0
# 0 0 1
# 1 9 1
# 1 15 1
# 1 17 1

Viewer

70_2_307492 Dupes Run TOTOPOL

CIF file