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10L_1_30

Structure Data

Name

10L_1_30

Type Code

sql

Spacegroup

P 2/m

Energy (eV/TO₂)

0.08

FD (T/1000 Å³)

12.013

UC volume (Å³)

332.986

avg. TD₁₀

222

Lattice Parameters

5.250

5.473

11.813

90.000

101.187

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_30_2D_bgbmin.cif
# energy = 0.075227
#FD = 12.01 T-atoms/1000 Angstroms^3

_cell_length_a           5.2501
_cell_length_b           5.4730
_cell_length_c           11.8131
_cell_angle_alpha        90.0000
_cell_angle_beta         101.1866
_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 0.21452 0.25000 0.41872
O O_11_1 0.00000 0.25000 0.50000
O O_11_2 0.50000 0.24999 0.50000
O O_11_3 0.18080 0.00000 0.34148
O O_11_4 0.18079 0.50000 0.34149

_iza_sc_Energy_eV_TO2 = 0.075227

_iza_sc_FrameworkDensity = 12.012581

_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 0.214519 0.250004 0.418720
EDGE 1 -0.214519 0.250004 0.581280
EDGE 1 0.785481 0.250004 0.581280
EDGE 1 0.214519 -0.250004 0.418720
EDGE 1 0.214519 0.749996 0.418720

#MMJT_TO_anneal_parms 13 5.250064696 5.473020106 11.813066759 1.766038704 0.214518643 0.250003659 0.418719543 0.250001704 0.249992893 0.180797564 0.341484780 0.180794982 0.341486037 0.075227440
# Graph Descriptor
# 10
# 1
# 0 
# 4
# 0 4 0
# 0 7 0
# 0 21 0
# 0 24 0

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10L_1_30

CIF file

CGD file