Viewer

CIF file

# This CIF file was created by the TO_anneal program

data_225_2_3p_bgbmin.cif
# energy = 0.008995
#FD = 14.70 T-atoms/1000 Angstroms^3

_cell_length_a         29.6704
_cell_length_b           29.6704
_cell_length_c           29.6704
_cell_angle_alpha        90.0000
_cell_angle_beta         90.0000
_cell_angle_gamma        90.0000
_symmetry_space_group_name_H-M   'F m -3 m'
_symmetry_Int_Tables_number 225

loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Si Si0 0.30229 0.12332 0.05118
O O_00_1 0.30678, 0.10477, 0.00000
O O_00_2 0.33025, 0.16975, 0.05649
O O_00_3 0.32189, 0.08600, 0.08600
O O_01_4 0.24996, 0.13320, 0.06270
Si Si1 0.19766 0.12325 0.05112
O O_11_1 0.19329, 0.10453, 0.00000
O O_11_2 0.16968, 0.16968, 0.05622
O O_11_3 0.17801, 0.08603, 0.08603

_iza_sc_Energy_eV_TO2 = 0.008995

_iza_sc_FrameworkDensity = 14.701443

_iza_sc_avgTD10 = 641.000

loop_
_iza_sc_CoordinationSequence
1 4 9 17 28 42 60 81 105 132 162 196 233 273 316 362 
1 4 9 17 28 42 60 81 105 132 162 196 233 273 316 362

loop_
_iza_sc_VertexSymbols
4.4.4.6.8.8
4.4.4.6.8.8
# Graph Descriptor
# 225
# 2
# 0 0 
# 7
# 0 54 0
# 0 75 0
# 0 89 0
# 0 0 1
# 1 54 1
# 1 76 1
# 1 89 1

Viewer

225_2_3p Dupes Run TOTOPOL

CIF file