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10L_1_9

Structure Data

Name

10L_1_9

Type Code

sql

Spacegroup

P 2/m

Energy (eV/TO₂)

0.16

FD (T/1000 Å³)

5.730

UC volume (Å³)

698.091

avg. TD₁₀

222

Lattice Parameters

6.146

45.992

2.766

90.000

116.744

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_9_2D_bgbmin.cif
# energy = 0.162105
#FD = 5.73 T-atoms/1000 Angstroms^3

_cell_length_a           6.1456
_cell_length_b           45.9915
_cell_length_c           2.7657
_cell_angle_alpha        90.0000
_cell_angle_beta         116.7437
_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 0.25000 0.05947 0.75000
O O_11_1 0.25000 0.07868 1.25000
O O_11_2 0.00000 0.03994 0.50000
O O_11_3 0.50000 0.03994 1.00000

_iza_sc_Energy_eV_TO2 = 0.162105

_iza_sc_FrameworkDensity = 5.729879

_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 0.250003 0.059474 0.750001
EDGE 1 0.250003 0.059474 1.750001
EDGE 1 -0.250003 0.059474 0.249999
EDGE 1 0.749997 0.059474 1.249999
EDGE 1 0.250003 0.059474 -0.249999

#MMJT_TO_anneal_parms 12 6.145640292 45.991500937 2.765696612 2.037561786 0.250002642 0.059474051 0.750001188 0.250002712 0.078681897 1.250001498 0.039937129 0.039937994 0.162105369
# Graph Descriptor
# 10
# 1
# 0 
# 3
# 0 1 0
# 0 4 0
# 0 8 0

Viewer

10L_1_9

CIF file

CGD file