Viewer

CIF file

# This CIF file was created by TO_anneal version 1.009

data_15_2_183659_bgbmin.cif
# energy = 0.028001
#FD = 19.10 T-atoms/1000 Angstroms^3

_cell_length_a           8.6668
_cell_length_b           10.5761
_cell_length_c           12.5955
_cell_angle_alpha        90.0000
_cell_angle_beta         133.4756
_cell_angle_gamma        90.0000
_symmetry_space_group_name_H-M  'C 2/c'
_symmetry_Int_Tables_number 15

loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Si Si1 0.01648 0.12509 0.08101
O O_11_1 0.50000 0.50000 0.50000
O O_12_1 0.24056 0.12461 0.25001
O O_12_2 0.17737 0.12576 0.42728
O O_12_3 0.00309 0.25010 0.00039
Si Si2 0.35477 0.12507 0.41923
O O_22_1 0.00000 0.50000 0.00000

_iza_sc_Energy_eV_TO2 = 0.028001

_iza_sc_FrameworkDensity = 19.097759

_iza_sc_avgTD10 = 864.000

loop_
_iza_sc_CoordinationSequence
1 4 10 21 37 57 81 109 142 180 222 268 318 373 433 497 
1 4 10 21 37 57 81 109 142 180 222 268 318 373 433 497

loop_
_iza_sc_VertexSymbols
4.6.4.6.6.8_{3}
4.6.4.6.6.8_{3}

#MMJT_TO_anneal_parms 19 8.666776125 10.576138512 12.595491832 2.329588452 0.016480157 0.125088993 0.081014851 0.354768961 0.125068455 0.419234702 0.240564629 0.124607336 0.250010168 0.177372633 0.125762749 0.427284092 0.003085743 0.250101246 0.000385006 0.028000570
# Graph Descriptor
# 15
# 2
# 0 0 
# 5
# 0 9 0
# 0 0 1
# 0 5 1
# 0 26 1
# 1 14 1

Viewer

15_2_183659 Dupes Run TOTOPOL

CIF file