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10L_2_12023

Structure Data

Name

10L_2_12023

Type Code

sql

Spacegroup

P 2/m

Energy (eV/TO₂)

0.15

FD (T/1000 Å³)

7.779

UC volume (Å³)

514.243

avg. TD₁₀

222

Lattice Parameters

5.218

35.373

2.786

90.000

89.998

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_2_12023_2D_bgbmin.cif
# energy = 0.147320
#FD = 7.78 T-atoms/1000 Angstroms^3

_cell_length_a           5.2177
_cell_length_b           35.3734
_cell_length_c           2.7862
_cell_angle_alpha        90.0000
_cell_angle_beta         89.9983
_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 0.00000 0.27305 1.00000
O O_11_1 0.00000 0.29770 0.50000
O O_12_1 0.25000 0.24638 1.00001
Si Si2 0.50000 0.21971 1.00000
O O_22_1 0.50000 0.19507 0.50000

_iza_sc_Energy_eV_TO2 = 0.147320

_iza_sc_FrameworkDensity = 7.778557

_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 
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
4.4.4.4.0.0

loop_
_iza_sc_Systre_edges
ATOM 1 4 0.000000 0.273055 1.000000
EDGE 1 0.000000 0.273055 2.000000
EDGE 1 0.500000 0.219713 1.000000
EDGE 1 0.000000 0.273055 0.000000
EDGE 1 -0.500000 0.219713 1.000000
ATOM 2 4 0.500000 0.219713 1.000000
EDGE 2 0.500000 0.219713 2.000000
EDGE 2 0.000000 0.273055 1.000000
EDGE 2 0.500000 0.219713 0.000000
EDGE 2 1.000000 0.273055 1.000000

#MMJT_TO_anneal_parms 11 5.217687865 35.373375936 2.786162034 1.570766171 0.273054848 0.219712634 0.297701582 0.249997994 0.246382812 1.000010241 0.195067155 0.147319622
# Graph Descriptor
# 10
# 2
# 3 6 
# 3
# 0 1 0
# 0 0 1
# 1 1 1

Viewer

10L_2_12023

CIF file

CGD file