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17L_1_10

Structure Data

Name

17L_1_10

Type Code

n/a

Spacegroup

P 2 2 21

Energy (eV/TO₂)

0.32

FD (T/1000 Å³)

17.132

UC volume (Å³)

233.481

avg. TD₁₀

Lattice Parameters

8.797

9.727

2.729

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_10_1D_bgbmin.cif
# energy = 0.321534
#FD = 17.13 T-atoms/1000 Angstroms^3

_cell_length_a           8.7970
_cell_length_b           9.7266
_cell_length_c           2.7287
_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 0.16837 0.16301 0.62348
O O_11_1 0.25494 0.21194 1.12330
O O_11_2 0.00000 0.22390 0.75000
O O_11_3 0.15500 0.00000 0.50000

_iza_sc_Energy_eV_TO2 = 0.321534

_iza_sc_FrameworkDensity = 17.131700

_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 0.168372 0.163008 0.623476
EDGE 1 0.168372 0.163008 1.623476
EDGE 1 -0.168372 0.163008 0.876524
EDGE 1 0.168372 -0.163008 0.376524
EDGE 1 0.168372 0.163008 -0.376524

#MMJT_TO_anneal_parms 11 8.797046743 9.726575671 2.728743195 0.168371994 0.163007944 0.623476379 0.254942116 0.211938476 1.123304723 0.223898215 0.154997071 0.321533836
# Graph Descriptor
# 17
# 1
# 0 
# 3
# 0 1 0
# 0 12 0
# 0 16 0

Viewer

17L_1_10

CIF file

CGD file