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10L_2_10805

Structure Data

Name

10L_2_10805

Type Code

n/a

Spacegroup

P 2/m

Energy (eV/TO₂)

0.26

FD (T/1000 Å³)

11.741

UC volume (Å³)

511.026

avg. TD₁₀

248

Lattice Parameters

13.045

13.268

5.504

90.000

147.561

90.000

Topological Data

CS and VS

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

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_10805_2D_bgbmin.cif
# energy = 0.261067
#FD = 11.74 T-atoms/1000 Angstroms^3

_cell_length_a           13.0447
_cell_length_b           13.2681
_cell_length_c           5.5044
_cell_angle_alpha        90.0000
_cell_angle_beta         147.5610
_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 0.38775 0.24999
O O_11_1 0.00000 0.32337 1.00000
O O_11_2 0.00000 0.32338 0.50000
O O_11_3 0.10337 0.50000 0.45670
O O_12_1 0.22829 0.40626 0.20658
Si Si2 0.37386 0.50000 0.49771
O O_22_1 0.50000 0.50000 0.50000
O O_22_2 0.50000 0.50000 0.00000

_iza_sc_Energy_eV_TO2 = 0.261067

_iza_sc_FrameworkDensity = 11.741086

_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 0.000000 0.387747 0.249988
EDGE 1 -0.000000 0.387747 -0.249988
EDGE 1 -0.000000 0.387747 0.750012
EDGE 1 0.000000 0.612253 0.249988
EDGE 1 -0.373857 0.500000 -0.497712
ATOM 2 4 0.373857 0.500000 0.497712
EDGE 2 0.626143 0.500000 0.502288
EDGE 2 0.626143 0.500000 1.502288
EDGE 2 -0.000000 0.387747 -0.249988
EDGE 2 -0.000000 0.612253 -0.249988

#MMJT_TO_anneal_parms 16 13.044670916 13.268058101 5.504428736 2.575424777 0.000000003 0.387746968 0.249988463 0.373856979 0.497712362 0.323367945 0.323383023 0.103369818 0.456704352 0.228291615 0.406259302 0.206581766 0.261066544
# Graph Descriptor
# 10
# 2
# 0 20 
# 6
# 0 3 0
# 0 4 0
# 0 24 0
# 0 3 1
# 1 7 1
# 1 8 1

Viewer

10L_2_10805

CIF file

CGD file