Viewer

CIF file

# This CIF file was created by TO_anneal version 1.007

data_214_1_1958_bgbmin.cif
# energy = 3.881879
#FD = 20.60 T-atoms/1000 Angstroms^3

_cell_length_a           13.2575
_cell_length_b           13.2575
_cell_length_c           13.2575
_cell_angle_alpha        90.0000
_cell_angle_beta         90.0000
_cell_angle_gamma        90.0000
_symmetry_space_group_name_H-M  'I 41 3 2'
_symmetry_Int_Tables_number 214

loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Si Si1 0.05806 0.12500 0.27980
O O_11_1 0.12500 0.12500 0.37500
O O_11_2 0.12500 0.05729 0.19271
O O_11_3 -0.03209 -0.02676 0.16453

_iza_sc_Energy_eV_TO2 = 3.881879

_iza_sc_FrameworkDensity = 20.599620

_iza_sc_avgTD10 = 944.000

loop_
_iza_sc_CoordinationSequence
1 4 11 20 32 52 84 122 156 198 264 342 400 454 548 662

loop_
_iza_sc_VertexSymbols
4.14_{24}.6_{4}.6_{4}.6_{4}.6_{4}

#MMJT_TO_anneal_parms 9 13.257470645 0.058062329 0.124999695 0.279802158 0.374999812 0.192711288 -0.032090586 -0.026764943 0.164528531 3.881878673
# Graph Descriptor
# 214
# 1
# 0 
# 3
# 0 29 0
# 0 32 0
# 0 36 0

Viewer

214_1_1958 Dupes Run TOTOPOL

CIF file