Viewer

CIF file

# This CIF file was created by TO_anneal version 1.009

data_11_2_14283_bgbmin.cif
# energy = 0.023508
#FD = 21.10 T-atoms/1000 Angstroms^3

_cell_length_a           9.3455
_cell_length_b           10.2875
_cell_length_c           7.6712
_cell_angle_alpha        90.0000
_cell_angle_beta         149.0584
_cell_angle_gamma        90.0000
_symmetry_space_group_name_H-M  'P 21/m'
_symmetry_Int_Tables_number 11

loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Si Si1 0.09451 0.10559 0.24395
O O_11_1 1.00000 0.00000 1.00000
O O_11_2 0.00235 0.25000 0.08577
O O_12_1 0.42962 0.10381 0.62151
O O_12_2 0.94268 0.07148 0.26920
Si Si2 0.62744 0.10616 0.00007
O O_22_1 0.50000 0.00000 1.00000
O O_22_2 0.61950 0.25000 0.07873

_iza_sc_Energy_eV_TO2 = 0.023508

_iza_sc_FrameworkDensity = 21.096693

_iza_sc_avgTD10 = 833.000

loop_
_iza_sc_CoordinationSequence
1 4 10 21 36 54 78 106 136 173 214 256 306 360 414 477 
1 4 10 21 36 54 78 106 136 173 214 256 306 360 414 477

loop_
_iza_sc_VertexSymbols
4.6.4.6.6.8_{2}
4.6.4.6.6.8_{2}

#MMJT_TO_anneal_parms 20 9.345498953 10.287460923 7.671204869 2.601560468 0.094508586 0.105591467 0.243946463 0.627438573 0.106155730 0.000071536 0.002346295 0.085766801 0.429621494 0.103808327 0.621511770 0.942676484 0.071483211 0.269203499 0.619496782 0.078725591 0.023508151
# Graph Descriptor
# 11
# 2
# 0 0 
# 6
# 0 9 0
# 0 18 0
# 0 1 1
# 0 6 1
# 1 12 1
# 1 18 1

Viewer

11_2_14283 Dupes Run TOTOPOL

CIF file