Viewer

CIF file

# This CIF file was created by TO_anneal version 1.007

data_210_1_418_bgbmin.cif
# energy = 2.590936
#FD = 26.36 T-atoms/1000 Angstroms^3

_cell_length_a           15.3852
_cell_length_b           15.3852
_cell_length_c           15.3852
_cell_angle_alpha        90.0000
_cell_angle_beta         90.0000
_cell_angle_gamma        90.0000
_symmetry_space_group_name_H-M  'F 41 3 2'
_symmetry_Int_Tables_number 210

loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Si Si1 0.15864 -0.02410 0.12500
O O_11_1 0.34760 0.12500 0.06219
O O_11_2 0.25803 -0.00803 0.12500
O O_11_3 0.21186 0.12500 0.03814

_iza_sc_Energy_eV_TO2 = 2.590936

_iza_sc_FrameworkDensity = 26.361226

_iza_sc_avgTD10 = 1234.000

loop_
_iza_sc_CoordinationSequence
1 4 10 22 39 69 110 172 198 268 341 427 471 592 692 796

loop_
_iza_sc_VertexSymbols
3.6_{2}.6.6.9.9

#MMJT_TO_anneal_parms 9 15.385154939 0.158642946 -0.024100093 0.124998745 0.347599720 0.124999746 0.062191269 -0.008026707 0.038136299 2.590936499
# Graph Descriptor
# 210
# 1
# 0 
# 3
# 0 8 0
# 0 23 0
# 0 30 0

Viewer

210_1_418 Dupes Run TOTOPOL

CIF file