Viewer

CIF file

# This CIF file was created by TO_anneal version 1.009

data_70_2_237309_bgbmin.cif
# energy = 0.445360
#FD = 23.97 T-atoms/1000 Angstroms^3

_cell_length_a           15.0922
_cell_length_b           13.5818
_cell_length_c           13.0255
_cell_angle_alpha        90.0000
_cell_angle_beta         90.0000
_cell_angle_gamma        90.0000
_space_group_name_H-M_alt  'F d d d:1'
_symmetry_Int_Tables_number 70

loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Si Si1 0.05614 0.08879 0.27122
O O_11_1 0.00000 0.00000 0.22386
O O_12_1 0.06021 0.17555 0.17917
O O_12_2 0.00001 0.13676 0.35711
O O_12_3 0.11103 0.20012 0.90341
Si Si2 0.01329 0.25000 0.61699
O O_22_1 0.00000 0.24979 0.50000

_iza_sc_Energy_eV_TO2 = 0.445360

_iza_sc_FrameworkDensity = 23.970312

_iza_sc_avgTD10 = 1088.000

loop_
_iza_sc_CoordinationSequence
1 4 11 24 43 68 102 139 183 230 283 343 410 479 555 638 
1 4 11 24 43 68 102 139 183 230 283 343 410 479 555 638

loop_
_iza_sc_VertexSymbols
4.6_{2}.6.6.6.6
4.6_{2}.6.6.6.6

#MMJT_TO_anneal_parms 20 15.092184831 13.581848222 13.025526972 0.056137938 0.088787009 0.271215099 0.013293371 0.249998118 0.616989570 0.223855480 0.060211424 0.175546724 0.179170624 0.000005321 0.136763412 0.357107913 0.111030146 0.200119274 0.903408896 0.249791741 0.445359936
# Graph Descriptor
# 70
# 2
# 0 0 
# 5
# 0 3 0
# 0 7 1
# 0 9 1
# 0 21 1
# 1 9 1

Viewer

70_2_237309 Dupes Run TOTOPOL

CIF file