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10L_2_8843

Structure Data

Name

10L_2_8843

Type Code

bew

Spacegroup

P 2/m

Energy (eV/TO₂)

0.70

FD (T/1000 Å³)

11.195

UC volume (Å³)

535.966

avg. TD₁₀

221

Lattice Parameters

5.393

21.761

6.378

90.000

45.737

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	3.6.3.6.0.0
CS T2	1 4 6 14 14 22 22 30 30 38 38 46 46 54 54 62
VS T2	3.3.6.6.0.0

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_8843_2D_bgbmin.cif
# energy = 0.698737
#FD = 11.19 T-atoms/1000 Angstroms^3

_cell_length_a           5.3925
_cell_length_b           21.7605
_cell_length_c           6.3779
_cell_angle_alpha        90.0000
_cell_angle_beta         45.7370
_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 0.19485 0.23053 0.54224
O O_11_1 0.00000 0.27819 0.50000
O O_11_2 0.50000 0.26284 0.50000
O O_12_1 0.34663 0.16763 0.31454
O O_12_2 0.15497 0.22496 0.11404
Si Si2 0.50000 0.19233 1.00000

_iza_sc_Energy_eV_TO2 = 0.698737

_iza_sc_FrameworkDensity = 11.194913

_iza_sc_avgTD10 = 220.333

loop_
_iza_sc_CoordinationSequence
1 4 8 12 16 20 24 28 32 36 40 44 48 52 56 60 
1 4 6 14 14 22 22 30 30 38 38 46 46 54 54 62

loop_
_iza_sc_VertexSymbols
3.6.3.6.0.0
3.3.6.6.0.0

loop_
_iza_sc_Systre_edges
ATOM 1 4 0.194855 0.230526 0.542242
EDGE 1 -0.194855 0.230526 0.457758
EDGE 1 0.805145 0.230526 0.457758
EDGE 1 0.500000 0.192332 0.000000
EDGE 1 -0.500000 0.192332 1.000000
ATOM 2 4 0.500000 0.192332 1.000000
EDGE 2 0.194855 0.230526 1.542242
EDGE 2 -0.194855 0.230526 1.457758
EDGE 2 0.805145 0.230526 0.457758
EDGE 2 1.194855 0.230526 0.542242

#MMJT_TO_anneal_parms 16 5.392455069 21.760526685 6.377852746 0.798261183 0.194854622 0.230525729 0.542241701 0.192331783 0.278185583 0.262838050 0.346634078 0.167629484 0.314538954 0.154966727 0.224956020 0.114041423 0.698736924
# Graph Descriptor
# 10
# 2
# 0 6 
# 4
# 0 4 0
# 0 7 0
# 0 2 1
# 0 5 1

Viewer

10L_2_8843

CIF file

CGD file