Viewer

CIF file

# This CIF file was created by TO_anneal version 1.007

data_211_1_2622_bgbmin.cif
# energy = 4.659879
#FD = 33.33 T-atoms/1000 Angstroms^3

_cell_length_a           11.2925
_cell_length_b           11.2925
_cell_length_c           11.2925
_cell_angle_alpha        90.0000
_cell_angle_beta         90.0000
_cell_angle_gamma        90.0000
_symmetry_space_group_name_H-M  'I 4 3 2'
_symmetry_Int_Tables_number 211

loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Si Si1 0.31231 0.41808 0.08192
O O_11_1 0.38856 0.12602 0.04713
O O_11_2 0.25000 0.33506 0.16494
O O_11_3 0.28719 0.28719 0.00000

_iza_sc_Energy_eV_TO2 = 4.659879

_iza_sc_FrameworkDensity = 33.332735

_iza_sc_avgTD10 = 1152.000

loop_
_iza_sc_CoordinationSequence
1 4 11 25 47 74 106 146 192 244 302 365 434 509 590 677

loop_
_iza_sc_VertexSymbols
4.6.6.6_{2}.6.8_{2}

#MMJT_TO_anneal_parms 9 11.292499891 0.312312331 0.418078447 0.081921474 0.388558432 0.126015553 0.047130094 0.164940604 0.287187907 4.659879328
# Graph Descriptor
# 211
# 1
# 0 
# 3
# 0 40 0
# 0 51 0
# 0 59 0

Viewer

211_1_2622 Dupes Run TOTOPOL

CIF file