Viewer

CIF file

# This CIF file was created by TO_anneal version 1.007

data_213_1_46_bgbmin.cif
# energy = 3.348330
#FD = 23.32 T-atoms/1000 Angstroms^3

_cell_length_a           10.0966
_cell_length_b           10.0966
_cell_length_c           10.0966
_cell_angle_alpha        90.0000
_cell_angle_beta         90.0000
_cell_angle_gamma        90.0000
_symmetry_space_group_name_H-M  'P 41 3 2'
_symmetry_Int_Tables_number 213

loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Si Si1 0.12279 0.30866 0.09758
O O_11_1 0.25929 0.25930 0.12136
O O_11_2 0.24641 0.24993 0.00177

_iza_sc_Energy_eV_TO2 = 3.348330

_iza_sc_FrameworkDensity = 23.317831

_iza_sc_avgTD10 = 697.000

loop_
_iza_sc_CoordinationSequence
1 4 8 13 22 38 64 89 112 150 196 229 260 324 390 425

loop_
_iza_sc_VertexSymbols
3.14_{75}.4.4.14_{30}.14_{30}

#MMJT_TO_anneal_parms 10 10.096581755 0.122794140 0.308655062 0.097577082 0.259292417 0.259295619 0.121359648 0.246414290 0.249927623 0.001765615 3.348330000
# Graph Descriptor
# 213
# 1
# 0 
# 2
# 0 7 0
# 0 32 0

Viewer

213_1_46 Dupes Run TOTOPOL

CIF file