Viewer

CIF file

# This CIF file was created by TO_anneal version 1.007

data_180_1_111_bgbmin.cif
# energy = 4.480669
#FD = 33.33 T-atoms/1000 Angstroms^3

_cell_length_a           5.2450
_cell_length_b           5.2450
_cell_length_c           15.1105
_cell_angle_alpha        90.0000
_cell_angle_beta         90.0000
_cell_angle_gamma        120.0000
_symmetry_space_group_name_H-M  'P 62 2 2'
_symmetry_Int_Tables_number 180

loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Si Si1 0.33293 0.33293 0.09755
O O_11_1 1.00000 1.00000 0.08282
O O_11_2 0.82152 0.64304 0.00000
O O_11_3 0.24712 0.12356 0.16667
O O_11_4 0.74093 0.37046 0.16667

_iza_sc_Energy_eV_TO2 = 4.480669

_iza_sc_FrameworkDensity = 33.333331

_iza_sc_avgTD10 = 1445.000

loop_
_iza_sc_CoordinationSequence
1 4 10 21 43 85 135 184 244 318 400 490 590 698 814 939

loop_
_iza_sc_VertexSymbols
4.6_{2}.4.10_{2}.6_{2}.10_{2}

#MMJT_TO_anneal_parms 9 5.245004177 15.110548182 0.332931962 0.332931879 0.097549775 0.082822864 0.643042486 0.123559958 0.370463089 4.480669436
# Graph Descriptor
# 180
# 1
# 0 
# 4
# 0 7 0
# 0 25 0
# 0 32 0
# 0 33 0

Viewer

180_1_111 Dupes Run TOTOPOL

CIF file