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8L_2_71

Structure Data

Name

8L_2_71

Type Code

sql

Spacegroup

C m

Energy (eV/TO₂)

0.50

FD (T/1000 Å³)

28.163

UC volume (Å³)

284.055

avg. TD₁₀

222

Lattice Parameters

9.801

10.837

10.636

90.000

165.437

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	4.4.4.4.0.0

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_8L_2_71_2D_bgbmin.cif
# energy = 0.497796
#FD = 28.16 T-atoms/1000 Angstroms^3

_cell_length_a           9.8009
_cell_length_b           10.8374
_cell_length_c           10.6358
_cell_angle_alpha        90.0000
_cell_angle_beta         165.4370
_cell_angle_gamma        90.0000
_symmetry_space_group_name_H-M  'C m'
_symmetry_Int_Tables_number 8

loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Si Si1 0.00000 0.13498 0.00000
O O_11_1 0.34293 0.14735 0.43505
O O_11_2 0.12404 0.00000 0.05114
O O_12_1 -0.13532 0.25917 0.24715
Si Si2 0.00000 0.12609 0.43862
O O_22_1 -0.64482 0.12256 -0.11027
O O_22_2 0.08622 0.00000 0.42996

_iza_sc_Energy_eV_TO2 = 0.497796

_iza_sc_FrameworkDensity = 28.163357

_iza_sc_avgTD10 = 221.000

loop_
_iza_sc_CoordinationSequence
1 4 8 12 16 20 24 28 32 36 40 44 48 52 56 60 
1 4 8 12 16 20 24 28 32 36 40 44 48 52 56 60

loop_
_iza_sc_VertexSymbols
4.4.4.4.0.0
4.4.4.4.0.0

loop_
_iza_sc_Systre_edges
ATOM 1 4 0.000000 0.134979 0.000000
EDGE 1 1.000000 0.134979 1.000000
EDGE 1 0.000000 -0.134979 0.000000
EDGE 1 0.500003 0.373908 0.438619
EDGE 1 -1.000000 0.134979 -1.000000
ATOM 2 4 0.000003 0.126092 0.438619
EDGE 2 1.000003 0.126092 1.438619
EDGE 2 0.000003 -0.126092 0.438619
EDGE 2 -0.500000 0.365021 0.000000
EDGE 2 -0.999997 0.126092 -0.561381

#MMJT_TO_anneal_parms 21 9.800881648 10.837438769 10.635819660 2.887419847 0.134978808 0.000002628 0.126092099 0.438619459 0.342934480 0.147354331 0.435051756 0.124042196 0.051137941 -0.135323082 0.259171198 0.247151770 -0.644823700 0.122557847 -0.110274169 0.086216075 0.429963713 0.497795697
# Graph Descriptor
# 8
# 2
# 0 0 
# 5
# 0 4 0
# 0 9 0
# 0 18 1
# 1 4 1
# 1 9 1

Viewer

8L_2_71

CIF file

CGD file