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10L_1_28

Structure Data

Name

10L_1_28

Type Code

sql

Spacegroup

P 2/m

Energy (eV/TO₂)

0.08

FD (T/1000 Å³)

10.943

UC volume (Å³)

365.539

avg. TD₁₀

222

Lattice Parameters

5.250

5.473

12.734

90.000

87.503

90.000

Topological Data

CS and VS

CS T1	1 4 8 12 16 20 24 28 32 36 40 44 48 52 56 60
VS T1	4.4.4.4.0.0

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_10L_1_28_2D_bgbmin.cif
# energy = 0.075227
#FD = 10.94 T-atoms/1000 Angstroms^3

_cell_length_a           5.2500
_cell_length_b           5.4730
_cell_length_c           12.7339
_cell_angle_alpha        90.0000
_cell_angle_beta         87.5033
_cell_angle_gamma        90.0000
_symmetry_space_group_name_H-M  'P 2/m'
_symmetry_Int_Tables_number 10

loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Si Si1 0.24218 0.25000 0.07404
O O_11_1 0.00000 0.25000 1.00000
O O_11_2 0.50000 0.24999 1.00000
O O_11_3 0.23474 0.00000 0.14440
O O_11_4 0.23474 0.50000 0.14439

_iza_sc_Energy_eV_TO2 = 0.075227

_iza_sc_FrameworkDensity = 10.942804

_iza_sc_avgTD10 = 221.000

loop_
_iza_sc_CoordinationSequence
1 4 8 12 16 20 24 28 32 36 40 44 48 52 56 60

loop_
_iza_sc_VertexSymbols
4.4.4.4.0.0

loop_
_iza_sc_Systre_edges
ATOM 1 4 0.242176 0.249999 0.074044
EDGE 1 -0.242176 0.249999 -0.074044
EDGE 1 0.757824 0.249999 -0.074044
EDGE 1 0.242176 -0.249999 0.074044
EDGE 1 0.242176 0.750001 0.074044

#MMJT_TO_anneal_parms 13 5.250002090 5.472978771 12.733875247 1.527220191 0.242176233 0.249999168 0.074043595 0.249998386 0.249992805 0.234737329 0.144397622 0.234737181 0.144394734 0.075227434
# Graph Descriptor
# 10
# 1
# 0 
# 4
# 0 3 0
# 0 6 0
# 0 21 0
# 0 24 0

Viewer

10L_1_28

CIF file

CGD file