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10L_2_6025

Structure Data

Name

10L_2_6025

Type Code

cqe

Spacegroup

P 2/m

Energy (eV/TO₂)

0.49

FD (T/1000 Å³)

3.377

UC volume (Å³)

2368.823

avg. TD₁₀

216

Lattice Parameters

12.287

75.570

6.971

90.000

158.532

90.000

Topological Data

CS and VS

CS T1	1 4 8 11 16 20 22 28 32 33 40 44 44 52 56 55
VS T1	3.6.4.6.0.0
CS T2	1 4 7 13 15 18 26 26 29 39 37 40 52 48 51 65
VS T2	3.4.3.6.0.0

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_2_6025_2D_bgbmin.cif
# energy = 0.489771
#FD = 3.38 T-atoms/1000 Angstroms^3

_cell_length_a           12.2871
_cell_length_b           75.5701
_cell_length_c           6.9706
_cell_angle_alpha        90.0000
_cell_angle_beta         158.5318
_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 0.25497 0.25800 0.37554
O O_11_1 0.00000 0.24286 1.00000
O O_12_1 0.22844 0.27592 0.48339
O O_12_2 -0.16060 0.26034 -0.00021
O O_12_3 0.60667 0.25257 0.96524
Si Si2 0.14956 0.26824 0.57207
O O_22_1 0.00000 0.28064 0.50000

_iza_sc_Energy_eV_TO2 = 0.489771

_iza_sc_FrameworkDensity = 3.377231

_iza_sc_avgTD10 = 215.000

loop_
_iza_sc_CoordinationSequence
1 4 7 13 15 18 26 26 29 39 37 40 52 48 51 65 
1 4 8 11 16 20 22 28 32 33 40 44 44 52 56 55

loop_
_iza_sc_VertexSymbols
3.4.3.6.0.0
3.6.4.6.0.0

loop_
_iza_sc_Systre_edges
ATOM 1 4 0.254971 0.258004 0.375537
EDGE 1 -0.254971 0.258004 -0.375537
EDGE 1 0.149564 0.268236 0.572071
EDGE 1 -0.149564 0.268236 -0.572071
EDGE 1 0.850436 0.268236 1.427929
ATOM 2 4 0.149564 0.268236 0.572071
EDGE 2 -0.149564 0.268236 0.427929
EDGE 2 0.254971 0.258004 0.375537
EDGE 2 -0.254971 0.258004 -0.375537
EDGE 2 0.745029 0.258004 1.624463

#MMJT_TO_anneal_parms 21 12.287061018 75.570085108 6.970582575 2.766902588 0.254971116 0.258004357 0.375536758 0.149563874 0.268235984 0.572071442 0.242856017 0.228444911 0.275923574 0.483385154 -0.160602594 0.260339937 -0.000211663 0.606670830 0.252573998 0.965240798 0.280643270 0.489771366
# Graph Descriptor
# 10
# 2
# 0 0 
# 5
# 0 3 0
# 0 0 1
# 0 3 1
# 0 8 1
# 1 4 1

Viewer

10L_2_6025

CIF file

CGD file