Viewer

CIF file

# This CIF file was created by TO_anneal version 1.007

data_120_1_12_bgbmin.cif
# energy = 2.279627
#FD = 33.33 T-atoms/1000 Angstroms^3

_cell_length_a           6.2783
_cell_length_b           6.2783
_cell_length_c           12.1777
_cell_angle_alpha        90.0000
_cell_angle_beta         90.0000
_cell_angle_gamma        90.0000
_symmetry_space_group_name_H-M  'I -4 c 2'
_symmetry_Int_Tables_number 120

loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Si Si1 0.24861 0.34594 0.12521
O O_11_1 0.49853 0.24983 0.12498
O O_11_2 0.24363 0.24363 0.25000
O O_11_3 0.25434 0.24566 0.00000

_iza_sc_Energy_eV_TO2 = 2.279627

_iza_sc_FrameworkDensity = 33.333333

_iza_sc_avgTD10 = 1489.000

loop_
_iza_sc_CoordinationSequence
1 4 12 30 58 94 138 190 250 318 394 478 570 670 778 894

loop_
_iza_sc_VertexSymbols
6.6.6.6.6_{2}.0

#MMJT_TO_anneal_parms 10 6.278253837 12.177650285 0.248611139 0.345944966 0.125212093 0.498533297 0.249834164 0.124982575 0.243630784 0.245656759 2.279626892
# Graph Descriptor
# 120
# 1
# 0 
# 3
# 0 13 0
# 0 17 0
# 0 26 0

Viewer

120_1_12 Dupes Run TOTOPOL

CIF file