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8L_2_284

Structure Data

Name

8L_2_284

Type Code

n/a

Spacegroup

C m

Energy (eV/TO₂)

0.10

FD (T/1000 Å³)

10.585

UC volume (Å³)

566.868

avg. TD₁₀

Lattice Parameters

8.641

28.658

10.491

90.000

167.397

90.000

Topological Data

CS and VS

CS T1	1 4 6 6 6 6 6 6 6 6 6 6 6 6 6 6
VS T1	3.0.4.4.4.4

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_284_1D_bgbmin.cif
# energy = 0.101041
#FD = 10.58 T-atoms/1000 Angstroms^3

_cell_length_a           8.6414
_cell_length_b           28.6577
_cell_length_c           10.4909
_cell_angle_alpha        90.0000
_cell_angle_beta         167.3970
_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 0.05179 0.00000
O O_11_1 0.33086 0.07812 0.39191
O O_11_2 -0.25770 0.00000 -0.16474
O O_12_1 0.63149 0.04549 0.40364
Si Si2 0.00968 0.00000 0.64551
O O_22_1 -0.15033 0.00000 1.36285

_iza_sc_Energy_eV_TO2 = 0.101041

_iza_sc_FrameworkDensity = 10.584513

_iza_sc_avgTD10 = 59.000

loop_
_iza_sc_CoordinationSequence
1 4 6 6 6 6 6 6 6 6 6 6 6 6 6 6 
1 4 6 6 6 6 6 6 6 6 6 6 6 6 6 6

loop_
_iza_sc_VertexSymbols
3.0.4.4.4.4
3.0.4.4.4.4

loop_
_iza_sc_Systre_edges
ATOM 1 4 0.000000 0.051794 0.000000
EDGE 1 1.000000 0.051794 1.000000
EDGE 1 0.000000 -0.051794 0.000000
EDGE 1 1.009683 0.000000 0.645510
EDGE 1 -1.000000 0.051794 -1.000000
ATOM 2 4 0.009683 0.000000 0.645510
EDGE 2 1.009683 0.000000 1.645510
EDGE 2 -1.000000 0.051794 0.000000
EDGE 2 -0.990317 0.000000 -0.354490
EDGE 2 -1.000000 -0.051794 0.000000

#MMJT_TO_anneal_parms 17 8.641392509 28.657746966 10.490886972 2.921629368 0.051794476 0.009682566 0.645509622 0.330856954 0.078121847 0.391910850 -0.257700973 -0.164735440 0.631489270 0.045492838 0.403639091 -0.150333339 1.362854817 0.101041398
# Graph Descriptor
# 8
# 2
# 0 1 
# 4
# 0 4 0
# 0 9 0
# 0 3 1
# 1 4 1

Viewer

8L_2_284

CIF file

CGD file