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17L_1_11

Structure Data

Name

17L_1_11

Type Code

n/a

Spacegroup

P 2 2 21

Energy (eV/TO₂)

0.32

FD (T/1000 Å³)

5.914

UC volume (Å³)

676.352

avg. TD₁₀

Lattice Parameters

9.430

26.296

2.728

90.000

Topological Data

CS and VS

CS T1	1 4 8 8 8 8 8 8 8 8 8 8 8 8 8 8
VS T1	4.4.4.4.5_{3}.0

Topological Spheres data

D_i	D_f	D_sf
n/a	n/a	n/a

JAVA version HTML5 version (default)

CIF file

# This CIF file was created by TO_anneal version 1.021

data_17L_1_11_1D_bgbmin.cif
# energy = 0.321349
#FD = 5.91 T-atoms/1000 Angstroms^3

_cell_length_a           9.4296
_cell_length_b           26.2956
_cell_length_c           2.7277
_cell_angle_alpha        90.0000
_cell_angle_beta         90.0000
_cell_angle_gamma        90.0000
_symmetry_space_group_name_H-M  'P 2 2 21'
_symmetry_Int_Tables_number 17

loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Si Si1 0.15668 0.06028 0.87530
O O_11_1 0.23790 0.07815 1.37533
O O_11_2 0.00000 0.08328 0.75000
O O_11_3 0.14295 0.00000 1.00000

_iza_sc_Energy_eV_TO2 = 0.321349

_iza_sc_FrameworkDensity = 5.913959

_iza_sc_avgTD10 = 77.000

loop_
_iza_sc_CoordinationSequence
1 4 8 8 8 8 8 8 8 8 8 8 8 8 8 8

loop_
_iza_sc_VertexSymbols
4.4.4.4.5_{3}.0

loop_
_iza_sc_Systre_edges
ATOM 1 4 0.156681 0.060276 0.875302
EDGE 1 0.156681 0.060276 1.875302
EDGE 1 -0.156681 0.060276 0.624698
EDGE 1 0.156681 -0.060276 1.124698
EDGE 1 0.156681 0.060276 -0.124698

#MMJT_TO_anneal_parms 11 9.429615539 26.295639508 2.727746219 0.156681049 0.060276143 0.875301676 0.237903516 0.078154248 1.375331302 0.083280408 0.142948869 0.321349117
# Graph Descriptor
# 17
# 1
# 0 
# 3
# 0 1 0
# 0 12 0
# 0 17 0

Viewer

17L_1_11

CIF file

CGD file