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10L_2_11517

Structure Data

Name

10L_2_11517

Type Code

n/a

Spacegroup

P 2/m

Energy (eV/TO₂)

0.03

FD (T/1000 Å³)

13.712

UC volume (Å³)

437.556

avg. TD₁₀

248

Lattice Parameters

13.332

10.299

9.569

90.000

160.547

90.000

Topological Data

CS and VS

CS T1	1 4 10 14 16 22 30 32 32 40 50 50 48 58 70 68
VS T1	3.6_{2}.6.6.6.6
CS T2	1 4 8 13 20 23 24 31 40 41 40 49 60 59 56 67
VS T2	3.6.4.6.4.6

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_11517_2D_bgbmin.cif
# energy = 0.025542
#FD = 13.71 T-atoms/1000 Angstroms^3

_cell_length_a           13.3319
_cell_length_b           10.2985
_cell_length_c           9.5693
_cell_angle_alpha        90.0000
_cell_angle_beta         160.5470
_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 0.30992 0.35640 0.36979
O O_11_1 0.00000 0.27979 1.00000
O O_11_2 0.50000 0.27973 0.50000
O O_11_3 0.22529 0.50000 0.20054
O O_12_1 0.51403 0.37263 0.77792
Si Si2 0.36543 0.50000 0.98089
O O_22_1 0.00000 0.50000 0.50000
O O_22_2 0.50000 0.50000 0.00000

_iza_sc_Energy_eV_TO2 = 0.025542

_iza_sc_FrameworkDensity = 13.712499

_iza_sc_avgTD10 = 247.000

loop_
_iza_sc_CoordinationSequence
1 4 8 13 20 23 24 31 40 41 40 49 60 59 56 67 
1 4 10 14 16 22 30 32 32 40 50 50 48 58 70 68

loop_
_iza_sc_VertexSymbols
3.6.4.6.4.6
3.6_{2}.6.6.6.6

loop_
_iza_sc_Systre_edges
ATOM 1 4 0.309922 0.356397 0.369793
EDGE 1 -0.309922 0.356397 -0.369793
EDGE 1 0.690078 0.356397 0.630207
EDGE 1 0.309922 0.643603 0.369793
EDGE 1 0.634573 0.500000 1.019112
ATOM 2 4 0.365427 0.500000 0.980888
EDGE 2 -0.365427 0.500000 0.019112
EDGE 2 0.634573 0.500000 1.019112
EDGE 2 0.690078 0.356397 1.630207
EDGE 2 0.690078 0.643603 1.630207

#MMJT_TO_anneal_parms 16 13.331901444 10.298519909 9.569283503 2.802073438 0.309922169 0.356397396 0.369793008 0.365427242 0.980888133 0.279789792 0.279730862 0.225292729 0.200537526 0.514032758 0.372632543 0.777922330 0.025541854
# Graph Descriptor
# 10
# 2
# 0 20 
# 6
# 0 3 0
# 0 7 0
# 0 24 0
# 0 8 1
# 1 4 1
# 1 8 1

Viewer

10L_2_11517

CIF file

CGD file