Viewer

CIF file

# This CIF file was created by TO_anneal version 1.007

data_197_1_485_bgbmin.cif
# energy = 1.091797
#FD = 29.53 T-atoms/1000 Angstroms^3

_cell_length_a           9.3326
_cell_length_b           9.3326
_cell_length_c           9.3326
_cell_angle_alpha        90.0000
_cell_angle_beta         90.0000
_cell_angle_gamma        90.0000
_symmetry_space_group_name_H-M  'I 2 3'
_symmetry_Int_Tables_number 197

loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Si Si1 0.28627 0.22984 0.04916
O O_11_1 0.57057 0.37640 0.22759
O O_11_2 0.64168 0.19783 0.11528

_iza_sc_Energy_eV_TO2 = 1.091797

_iza_sc_FrameworkDensity = 29.525917

_iza_sc_avgTD10 = 1232.000

loop_
_iza_sc_CoordinationSequence
1 4 10 23 43 76 108 156 206 270 335 411 496 594 686 800

loop_
_iza_sc_VertexSymbols
3.6.6.6.8.8

#MMJT_TO_anneal_parms 10 9.332599212 0.286271870 0.229842432 0.049156885 0.570565034 0.376400971 0.227587731 0.641679676 0.197829249 0.115276912 1.091796715
# Graph Descriptor
# 197
# 1
# 0 
# 2
# 0 30 0
# 0 51 0

Viewer

197_1_485 Dupes Run TOTOPOL

CIF file