Viewer

CIF file

# This CIF file was created by TO_anneal version 1.007

data_211_1_2651_bgbmin.cif
# energy = 2.200845
#FD = 19.03 T-atoms/1000 Angstroms^3

_cell_length_a           13.6122
_cell_length_b           13.6122
_cell_length_c           13.6122
_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 0.42939 0.13269 0.01486
O O_11_1 0.10245 0.36091 0.07340
O O_11_2 0.41515 0.41515 0.00000
O O_11_3 0.43867 0.25000 0.06133

_iza_sc_Energy_eV_TO2 = 2.200845

_iza_sc_FrameworkDensity = 19.030621

_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 13.612234726 0.429385289 0.132687634 0.014864549 0.102453536 0.360914439 0.073403434 0.415151802 0.061333256 2.200844955
# Graph Descriptor
# 211
# 1
# 0 
# 3
# 0 43 0
# 0 50 0
# 0 66 0

Viewer

211_1_2651 Dupes Run TOTOPOL

CIF file