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10L_2_12118

Structure Data

Name

10L_2_12118

Type Code

sql

Spacegroup

P 2/m

Energy (eV/TO₂)

0.18

FD (T/1000 Å³)

8.836

UC volume (Å³)

452.715

avg. TD₁₀

222

Lattice Parameters

5.921

30.944

7.660

90.000

161.181

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_12118_2D_bgbmin.cif
# energy = 0.179248
#FD = 8.84 T-atoms/1000 Angstroms^3

_cell_length_a           5.9206
_cell_length_b           30.9437
_cell_length_c           7.6603
_cell_angle_alpha        90.0000
_cell_angle_beta         161.1808
_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 0.27199 0.50000
O O_11_1 0.00000 0.29996 1.00000
O O_12_1 0.00005 0.24145 0.25005
Si Si2 0.50000 0.21092 1.00000
O O_22_1 0.00000 0.18295 0.50000

_iza_sc_Energy_eV_TO2 = 0.179248

_iza_sc_FrameworkDensity = 8.835618

_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 0.500000 0.271992 0.500000
EDGE 1 -0.500000 0.271992 -0.500000
EDGE 1 -0.500000 0.210916 0.000000
EDGE 1 1.500000 0.271992 1.500000
EDGE 1 1.500000 0.210916 1.000000
ATOM 2 4 0.500000 0.210916 1.000000
EDGE 2 -0.500000 0.210916 0.000000
EDGE 2 -0.500000 0.271992 0.500000
EDGE 2 1.500000 0.210916 2.000000
EDGE 2 1.500000 0.271992 1.500000

#MMJT_TO_anneal_parms 11 5.920602866 30.943662041 7.660279817 2.813136107 0.271991511 0.210916412 0.299960036 0.000050134 0.241454842 0.250052207 0.182947375 0.179248265
# Graph Descriptor
# 10
# 2
# 5 6 
# 3
# 0 3 0
# 0 4 1
# 1 4 1

Viewer

10L_2_12118

CIF file

CGD file