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10L_1_5

Structure Data

Name

10L_1_5

Type Code

sql

Spacegroup

P 2/m

Energy (eV/TO₂)

0.16

FD (T/1000 Å³)

12.738

UC volume (Å³)

314.020

avg. TD₁₀

222

Lattice Parameters

7.792

20.689

2.766

90.000

135.223

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_5_2D_bgbmin.cif
# energy = 0.162111
#FD = 12.74 T-atoms/1000 Angstroms^3

_cell_length_a           7.7921
_cell_length_b           20.6885
_cell_length_c           2.7656
_cell_angle_alpha        90.0000
_cell_angle_beta         135.2234
_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 0.24999 0.12952 0.49997
O O_11_1 0.25000 0.17222 0.99999
O O_11_2 0.00000 0.08608 1.00000
O O_11_3 0.50000 0.08609 1.00000

_iza_sc_Energy_eV_TO2 = 0.162111

_iza_sc_FrameworkDensity = 12.737924

_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 0.249987 0.129519 0.499965
EDGE 1 0.249987 0.129519 1.499965
EDGE 1 -0.249987 0.129519 -0.499965
EDGE 1 0.750013 0.129519 1.500035
EDGE 1 0.249987 0.129519 -0.500035

#MMJT_TO_anneal_parms 12 7.792097494 20.688468081 2.765627400 2.360093765 0.249987498 0.129519420 0.499965046 0.250001595 0.172222433 0.999990368 0.086082828 0.086094413 0.162111017
# Graph Descriptor
# 10
# 1
# 0 
# 3
# 0 1 0
# 0 3 0
# 0 8 0

Viewer

10L_1_5

CIF file

CGD file