Viewer

CIF file

# This CIF file was created by TO_anneal version 1.007

data_70_1_69_bgbmin.cif
# energy = 4.539823
#FD = 33.31 T-atoms/1000 Angstroms^3

_cell_length_a           17.5178
_cell_length_b           13.9829
_cell_length_c           3.9215
_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 0.04283 0.17691 0.31776
O O_11_1 0.04347 0.24639 0.73089
O O_11_2 0.00000 0.09704 1.00000
O O_11_3 0.12500 0.12500 0.12500

_iza_sc_Energy_eV_TO2 = 4.539823

_iza_sc_FrameworkDensity = 33.313137

_iza_sc_avgTD10 = 1195.000

loop_
_iza_sc_CoordinationSequence
1 4 10 21 40 69 108 149 200 261 332 405 488 581 684 789

loop_
_iza_sc_VertexSymbols
4.6.4.6.6.10_{6}

#MMJT_TO_anneal_parms 10 17.517791423 13.982941800 3.921539070 0.042831688 0.176911655 0.317759992 0.043474744 0.246388317 0.730894535 0.097035344 4.539822736
# Graph Descriptor
# 70
# 1
# 0 
# 3
# 0 6 0
# 0 8 0
# 0 16 0

Viewer

70_1_69 Dupes Run TOTOPOL

CIF file