Viewer

CIF file

# This CIF file was created by TO_anneal version 1.007

data_89_1_1_bgbmin.cif
# energy = 1.468730
#FD = 26.44 T-atoms/1000 Angstroms^3

_cell_length_a           7.9659
_cell_length_b           7.9659
_cell_length_c           4.7683
_cell_angle_alpha        90.0000
_cell_angle_beta         90.0000
_cell_angle_gamma        90.0000
_symmetry_space_group_name_H-M  'P 4 2 2'
_symmetry_Int_Tables_number 89

loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Si Si1 0.09444 0.31630 0.22588
O O_11_1 0.50000 0.00000 0.24418
O O_11_2 0.22257 0.00000 0.00000
O O_11_3 0.22275 0.00000 0.50000
O O_11_4 0.26188 0.26188 0.00000

_iza_sc_Energy_eV_TO2 = 1.468730

_iza_sc_FrameworkDensity = 26.439545

_iza_sc_avgTD10 = 1179.000

loop_
_iza_sc_CoordinationSequence
1 4 10 21 39 67 108 151 196 255 327 397 468 556 660 762

loop_
_iza_sc_VertexSymbols
4.6.4.6.6.12_{8}

#MMJT_TO_anneal_parms 9 7.965890929 4.768340850 0.094441584 0.316300196 0.225876941 0.244181879 0.222572695 0.222747125 0.261882798 1.468729769
# Graph Descriptor
# 89
# 1
# 0 
# 4
# 0 2 0
# 0 9 0
# 0 10 0
# 0 17 0

Viewer

89_1_1 Dupes Run TOTOPOL

CIF file