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10L_1_33

Structure Data

Name

10L_1_33

Type Code

sql

Spacegroup

P 2/m

Energy (eV/TO₂)

0.20

FD (T/1000 Å³)

9.698

UC volume (Å³)

206.237

avg. TD₁₀

222

Lattice Parameters

3.927

26.747

2.777

90.000

45.000

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_33_2D_bgbmin.cif
# energy = 0.200259
#FD = 9.70 T-atoms/1000 Angstroms^3

_cell_length_a           3.9270
_cell_length_b           26.7471
_cell_length_c           2.7768
_cell_angle_alpha        90.0000
_cell_angle_beta         44.9999
_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 0.50000 0.32042 0.50000
O O_11_1 0.50000 0.35337 1.00000
O O_11_2 0.00000 0.28746 1.00000

_iza_sc_Energy_eV_TO2 = 0.200259

_iza_sc_FrameworkDensity = 9.697534

_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 0.500000 0.320416 0.500000
EDGE 1 0.500000 0.320416 1.500000
EDGE 1 -0.500000 0.320416 1.500000
EDGE 1 0.500000 0.320416 -0.500000
EDGE 1 1.500000 0.320416 -0.500000

#MMJT_TO_anneal_parms 7 3.926983242 26.747130794 2.776824496 0.785395853 0.320415773 0.353367073 0.287464966 0.200258655
# Graph Descriptor
# 10
# 1
# 5 
# 2
# 0 1 0
# 0 5 0

Viewer

10L_1_33

CIF file

CGD file