Viewer

CIF file

# This CIF file was created by TO_anneal version 1.009

data_14_2_47724_bgbmin.cif
# energy = 0.086805
#FD = 20.32 T-atoms/1000 Angstroms^3

_cell_length_a           6.7234
_cell_length_b           8.7835
_cell_length_c           9.6304
_cell_angle_alpha        90.0000
_cell_angle_beta         136.1891
_cell_angle_gamma        90.0000
_symmetry_space_group_name_H-M  'P 21/c'
_symmetry_Int_Tables_number 14

loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Si Si1 0.70321 0.09796 0.00000
O O_11_1 0.50000 0.00000 1.00000
O O_12_1 0.02450 0.13885 0.21519
O O_12_2 0.71061 0.00004 0.86088
O O_12_3 0.52854 0.24830 0.37207
Si Si2 0.33467 0.09844 0.30320
O O_22_1 0.50000 0.00000 0.50000

_iza_sc_Energy_eV_TO2 = 0.086805

_iza_sc_FrameworkDensity = 20.318946

_iza_sc_avgTD10 = 969.000

loop_
_iza_sc_CoordinationSequence
1 4 11 24 41 63 91 123 160 202 249 301 358 420 487 559 
1 4 11 24 41 63 91 123 160 202 249 301 358 420 487 559

loop_
_iza_sc_VertexSymbols
4.6_{2}.6.6.6.6
4.6_{2}.6.6.6.6

#MMJT_TO_anneal_parms 19 6.723441262 8.783539725 9.630433668 2.376948856 0.703212930 0.097957097 0.000000016 0.334665374 0.098439456 0.303204986 0.024499313 0.138847660 0.215189091 0.710605614 0.000040120 0.860876092 0.528541084 0.248297054 0.372067139 0.086804561
# Graph Descriptor
# 14
# 2
# 0 0 
# 5
# 0 12 0
# 0 3 1
# 0 12 1
# 0 19 1
# 1 13 1

Viewer

14_2_47724 Dupes Run TOTOPOL

CIF file