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10L_1_47

Structure Data

Name

10L_1_47

Type Code

sql

Spacegroup

P 2/m

Energy (eV/TO₂)

0.10

FD (T/1000 Å³)

3.746

UC volume (Å³)

533.958

avg. TD₁₀

222

Lattice Parameters

5.239

2.774

36.821

90.000

86.370

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_10L_1_47_2D_bgbmin.cif
# energy = 0.104873
#FD = 3.75 T-atoms/1000 Angstroms^3

_cell_length_a           5.2389
_cell_length_b           2.7736
_cell_length_c           36.8210
_cell_angle_alpha        90.0000
_cell_angle_beta         86.3695
_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 0.23855 0.50000 0.02574
O O_11_1 0.00000 0.50000 1.00000
O O_11_2 0.50000 0.50000 1.00000
O O_11_3 0.22796 0.00000 0.04957

_iza_sc_Energy_eV_TO2 = 0.104873

_iza_sc_FrameworkDensity = 3.745673

_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

loop_
_iza_sc_VertexSymbols
4.4.4.4.0.0

loop_
_iza_sc_Systre_edges
ATOM 1 4 0.238552 0.500000 0.025738
EDGE 1 -0.238552 0.500000 -0.025738
EDGE 1 0.761448 0.500000 -0.025738
EDGE 1 0.238552 -0.500000 0.025738
EDGE 1 0.238552 1.500000 0.025738

#MMJT_TO_anneal_parms 8 5.238867782 2.773572469 36.820998202 1.507432141 0.238551555 0.025738397 0.227956368 0.049571395 0.104873314
# Graph Descriptor
# 10
# 1
# 20 
# 3
# 0 3 0
# 0 6 0
# 0 21 0

Viewer

10L_1_47

CIF file

CGD file