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10L_2_11437

Structure Data

Name

10L_2_11437

Type Code

n/a

Spacegroup

P 2/m

Energy (eV/TO₂)

0.03

FD (T/1000 Å³)

7.312

UC volume (Å³)

820.583

avg. TD₁₀

248

Lattice Parameters

13.330

19.317

9.568

90.000

160.544

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_11437_2D_bgbmin.cif
# energy = 0.025544
#FD = 7.31 T-atoms/1000 Angstroms^3

_cell_length_a           13.3297
_cell_length_b           19.3169
_cell_length_c           9.5680
_cell_angle_alpha        90.0000
_cell_angle_beta         160.5444
_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 0.19009 0.42343 0.13022
O O_11_1 0.00000 0.38256 1.00000
O O_11_2 0.50000 0.38259 0.50000
O O_11_3 0.27464 0.50000 0.29933
O O_12_1 0.01415 0.43208 0.27805
Si Si2 0.13459 0.50000 0.51912
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 = 0.025544

_iza_sc_FrameworkDensity = 7.311892

_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 0.190091 0.423434 0.130215
EDGE 1 -0.190091 0.423434 -0.130215
EDGE 1 0.809909 0.423434 0.869785
EDGE 1 0.190091 0.576566 0.130215
EDGE 1 -0.134595 0.500000 -0.519122
ATOM 2 4 0.134595 0.500000 0.519122
EDGE 2 -0.134595 0.500000 0.480878
EDGE 2 0.865405 0.500000 1.480878
EDGE 2 -0.190091 0.423434 -0.130215
EDGE 2 -0.190091 0.576566 -0.130215

#MMJT_TO_anneal_parms 16 13.329667935 19.316925883 9.567996807 2.802028867 0.190090549 0.423433622 0.130215159 0.134594704 0.519122149 0.382557533 0.382585047 0.274643139 0.299328155 0.014152271 0.432081914 0.278053565 0.025544040
# Graph Descriptor
# 10
# 2
# 0 20 
# 6
# 0 3 0
# 0 7 0
# 0 24 0
# 0 3 1
# 1 4 1
# 1 8 1

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10L_2_11437

CIF file

CGD file