Viewer

CIF file

# This CIF file was created by TO_anneal version 1.007

data_70_1_92_bgbmin.cif
# energy = 1.005407
#FD = 28.81 T-atoms/1000 Angstroms^3

_cell_length_a           15.5938
_cell_length_b           18.8201
_cell_length_c           3.7843
_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 0.07463 0.17370 0.30458
O O_11_1 0.00000 0.14400 1.00000
O O_11_2 0.00000 0.20698 0.50000
O O_11_3 0.12500 0.25000 0.25000
O O_11_4 0.12500 0.12500 0.62500

_iza_sc_Energy_eV_TO2 = 1.005407

_iza_sc_FrameworkDensity = 28.813285

_iza_sc_avgTD10 = 1293.000

loop_
_iza_sc_CoordinationSequence
1 4 10 21 40 73 119 163 212 282 368 439 516 626 744 843

loop_
_iza_sc_VertexSymbols
4.6.4.6.6.12_{20}

#MMJT_TO_anneal_parms 9 15.593756166 18.820076812 3.784295798 0.074629579 0.173699039 0.304580837 0.143998036 0.206979343 0.124997251 1.005406908
# Graph Descriptor
# 70
# 1
# 0 
# 4
# 0 8 0
# 0 9 0
# 0 14 0
# 0 17 0

Viewer

70_1_92 Dupes Run TOTOPOL

CIF file