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10L_1_8

Structure Data

Name

10L_1_8

Type Code

sql

Spacegroup

P 2/m

Energy (eV/TO₂)

0.16

FD (T/1000 Å³)

4.761

UC volume (Å³)

840.248

avg. TD₁₀

222

Lattice Parameters

5.488

55.357

2.766

90.000

89.998

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_8_2D_bgbmin.cif
# energy = 0.162102
#FD = 4.76 T-atoms/1000 Angstroms^3

_cell_length_a           5.4884
_cell_length_b           55.3570
_cell_length_c           2.7656
_cell_angle_alpha        90.0000
_cell_angle_beta         89.9978
_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 0.27697 0.49999
O O_11_1 0.25001 0.29293 0.99999
O O_11_2 0.00000 0.26074 0.50000
O O_11_3 0.50000 0.26074 0.50000

_iza_sc_Energy_eV_TO2 = 0.162102

_iza_sc_FrameworkDensity = 4.760594

_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 0.249999 0.276973 0.499994
EDGE 1 0.249999 0.276973 1.499994
EDGE 1 -0.249999 0.276973 0.500006
EDGE 1 0.750001 0.276973 0.500006
EDGE 1 0.249999 0.276973 -0.500006

#MMJT_TO_anneal_parms 12 5.488377925 55.356997792 2.765555078 1.570758428 0.249998823 0.276972843 0.499994291 0.250009181 0.292931940 0.999988712 0.260741683 0.260742322 0.162102466
# Graph Descriptor
# 10
# 1
# 0 
# 3
# 0 1 0
# 0 4 0
# 0 7 0

Viewer

10L_1_8

CIF file

CGD file