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10L_2_1186

Structure Data

Name

10L_2_1186

Type Code

n/a

Spacegroup

P 2/m

Energy (eV/TO₂)

0.57

FD (T/1000 Å³)

19.274

UC volume (Å³)

415.060

avg. TD₁₀

410

Lattice Parameters

15.447

9.413

2.966

90.000

74.249

90.000

Topological Data

CS and VS

CS T1	1 4 10 18 26 36 46 54 62 70 78 86 94 102 110 118
VS T1	4.5.4.5.5.0
CS T2	1 4 10 20 30 38 46 54 62 70 78 86 94 102 110 118
VS T2	4.5.4.5.8_{2}.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_1186_2D_bgbmin.cif
# energy = 0.566351
#FD = 19.27 T-atoms/1000 Angstroms^3

_cell_length_a           15.4471
_cell_length_b           9.4127
_cell_length_c           2.9660
_cell_angle_alpha        90.0000
_cell_angle_beta         74.2490
_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 0.25208 0.16701 0.18683
O O_11_1 0.30256 0.20075 0.61527
O O_11_2 0.22631 0.00000 0.22438
O O_12_1 0.15841 0.25344 0.31535
Si Si2 0.07993 0.33805 0.69225
O O_22_1 0.00000 0.37211 0.50000
O O_22_2 0.00000 0.23693 1.00000
O O_22_3 0.10944 0.50000 0.83157

_iza_sc_Energy_eV_TO2 = 0.566351

_iza_sc_FrameworkDensity = 19.274013

_iza_sc_avgTD10 = 409.000

loop_
_iza_sc_CoordinationSequence
1 4 10 20 30 38 46 54 62 70 78 86 94 102 110 118 
1 4 10 18 26 36 46 54 62 70 78 86 94 102 110 118

loop_
_iza_sc_VertexSymbols
4.5.4.5.8_{2}.0
4.5.4.5.5.0

loop_
_iza_sc_Systre_edges
ATOM 1 4 0.252077 0.167007 0.186828
EDGE 1 0.252077 0.167007 1.186828
EDGE 1 0.252077 -0.167007 0.186828
EDGE 1 0.079935 0.338052 0.692246
EDGE 1 0.252077 0.167007 -0.813172
ATOM 2 4 0.079935 0.338052 0.692246
EDGE 2 -0.079935 0.338052 0.307754
EDGE 2 -0.079935 0.338052 1.307754
EDGE 2 0.079935 0.661948 0.692246
EDGE 2 0.252077 0.167007 0.186828

#MMJT_TO_anneal_parms 22 15.447104921 9.412708851 2.966044287 1.295890113 0.252077303 0.167007037 0.186828447 0.079934735 0.338051514 0.692246285 0.302559549 0.200749824 0.615270807 0.226308941 0.224383359 0.158412959 0.253441725 0.315351822 0.372114234 0.236932132 0.109441215 0.831571844 0.566351478
# Graph Descriptor
# 10
# 2
# 0 0 
# 6
# 0 1 0
# 0 21 0
# 0 0 1
# 1 4 1
# 1 5 1
# 1 24 1

Viewer

10L_2_1186

CIF file

CGD file