Viewer

CIF file

# This CIF file was created by TO_anneal version 1.007

data_211_1_2317_bgbmin.cif
# energy = 2.877282
#FD = 19.12 T-atoms/1000 Angstroms^3

_cell_length_a           13.5914
_cell_length_b           13.5914
_cell_length_c           13.5914
_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 0.37001 0.46537 0.03463
O O_11_1 0.41433 0.41433 0.00000
O O_11_2 0.39225 0.11147 0.06103
O O_11_3 0.25000 0.43795 0.06205

_iza_sc_Energy_eV_TO2 = 2.877282

_iza_sc_FrameworkDensity = 19.118083

_iza_sc_avgTD10 = 640.000

loop_
_iza_sc_CoordinationSequence
1 4 9 16 26 42 60 78 106 136 162 198 236 270 314 364

loop_
_iza_sc_VertexSymbols
4.6_{2}.4.6_{2}.4.12_{9}

#MMJT_TO_anneal_parms 9 13.591445036 0.370008434 0.465365043 0.034634746 0.414325205 0.392247000 0.111471035 0.061025332 0.062046796 2.877282168
# Graph Descriptor
# 211
# 1
# 0 
# 3
# 0 37 0
# 0 40 0
# 0 51 0

Viewer

211_1_2317 Dupes Run TOTOPOL

CIF file