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8L_2_320

Structure Data

Name

8L_2_320

Type Code

sql

Spacegroup

C m

Energy (eV/TO₂)

0.10

FD (T/1000 Å³)

21.619

UC volume (Å³)

277.536

avg. TD₁₀

222

Lattice Parameters

15.041

6.624

15.133

90.000

169.392

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_320_2D_bgbmin.cif
# energy = 0.103867
#FD = 21.62 T-atoms/1000 Angstroms^3

_cell_length_a           15.0406
_cell_length_b           6.6237
_cell_length_c           15.1335
_cell_angle_alpha        90.0000
_cell_angle_beta         169.3923
_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 0.24382 0.00000
O O_11_1 0.52997 0.32931 0.48570
O O_11_2 0.00705 0.00000 -0.00210
O O_12_1 0.42977 0.19892 0.03457
Si Si2 0.38685 0.00000 0.05462
O O_22_1 -0.15360 0.00000 0.57236

_iza_sc_Energy_eV_TO2 = 0.103867

_iza_sc_FrameworkDensity = 21.618699

_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 0.243816 0.000000
EDGE 1 1.000000 0.243816 1.000000
EDGE 1 0.000000 -0.243816 0.000000
EDGE 1 -0.113151 0.500000 0.054622
EDGE 1 -1.000000 0.243816 -1.000000
ATOM 2 4 0.386849 0.000000 0.054622
EDGE 2 1.386849 0.000000 1.054622
EDGE 2 0.500000 0.256184 0.000000
EDGE 2 -0.613151 0.000000 -0.945378
EDGE 2 0.500000 -0.256184 0.000000

#MMJT_TO_anneal_parms 17 15.040569082 6.623715439 15.133510266 2.956452777 0.243815628 0.386848724 0.054622259 0.529966627 0.329307096 0.485702207 0.007048271 -0.002100574 0.429769396 0.198920259 0.034567972 -0.153595291 0.572362737 0.103867242
# Graph Descriptor
# 8
# 2
# 0 1 
# 4
# 0 4 0
# 0 9 0
# 0 21 1
# 1 4 1

Viewer

8L_2_320

CIF file

CGD file