Viewer

CIF file

# This CIF file was created by TO_anneal version 1.009

data_11_2_16005_bgbmin.cif
# energy = 0.051666
#FD = 25.01 T-atoms/1000 Angstroms^3

_cell_length_a           8.1105
_cell_length_b           16.0254
_cell_length_c           4.8610
_cell_angle_alpha        90.0000
_cell_angle_beta         30.4155
_cell_angle_gamma        90.0000
_symmetry_space_group_name_H-M  'P 21/m'
_symmetry_Int_Tables_number 11

loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Si Si1 0.61927 0.09103 0.44037
O O_11_1 0.50000 0.00000 0.50000
O O_12_1 0.59035 0.15415 0.22478
O O_12_2 0.37379 0.12210 0.03355
O O_12_3 0.00001 0.09406 0.00007
Si Si2 0.27805 0.15537 0.47341
O O_22_1 0.14107 0.25000 0.64960

_iza_sc_Energy_eV_TO2 = 0.051666

_iza_sc_FrameworkDensity = 25.011171

_iza_sc_avgTD10 = 1025.000

loop_
_iza_sc_CoordinationSequence
1 4 12 25 44 67 96 130 170 214 264 319 380 445 516 592 
1 4 12 24 42 66 96 130 170 214 264 318 378 444 516 592

loop_
_iza_sc_VertexSymbols
6_{2}.6_{2}.6_{2}.6_{2}.6_{2}.6_{2}
6_{2}.6_{2}.6_{2}.6_{2}.6_{2}.6_{2}

#MMJT_TO_anneal_parms 21 8.110467151 16.025390248 4.860962313 0.530849995 0.619269948 0.091032429 0.440372561 0.278054230 0.155367057 0.473410816 0.590350661 0.154154650 0.224776184 0.373787693 0.122099177 0.033551722 0.000007385 0.094063910 0.000068627 0.141071338 0.649597652 0.051666283
# Graph Descriptor
# 11
# 2
# 0 0 
# 5
# 0 13 0
# 0 0 1
# 0 1 1
# 0 5 1
# 1 18 1

Viewer

11_2_16005 Dupes Run TOTOPOL

CIF file