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39L_1_7

Structure Data

Name

39L_1_7

Type Code

n/a

Spacegroup

A e m 2

Energy (eV/TO₂)

0.04

FD (T/1000 Å³)

14.930

UC volume (Å³)

535.826

avg. TD₁₀

312

Lattice Parameters

11.486

8.630

5.406

90.000

Topological Data

CS and VS

CS T1	1 4 10 16 22 28 34 40 46 52 58 64 70 76 82 88
VS T1	4.6_{3}.4.6_{3}.6.6_{4}

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_39L_1_7_2D_bgbmin.cif
# energy = 0.041615
#FD = 14.93 T-atoms/1000 Angstroms^3

_cell_length_a           11.4855
_cell_length_b           8.6299
_cell_length_c           5.4059
_cell_angle_alpha        90.0000
_cell_angle_beta         90.0000
_cell_angle_gamma        90.0000
_symmetry_space_group_name_H-M  'A e m 2'
_symmetry_Int_Tables_number 39

loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Si Si1 0.13261 0.06280 0.00000
O O_11_1 0.00000 0.00000 -0.00002
O O_11_2 0.13229 0.25000 0.00006
O O_11_3 0.19659 -0.00003 0.24998

_iza_sc_Energy_eV_TO2 = 0.041615

_iza_sc_FrameworkDensity = 14.930119

_iza_sc_avgTD10 = 311.000

loop_
_iza_sc_CoordinationSequence
1 4 10 16 22 28 34 40 46 52 58 64 70 76 82 88

loop_
_iza_sc_VertexSymbols
4.6_{3}.4.6_{3}.6.6_{4}

loop_
_iza_sc_Systre_edges
ATOM 1 4 0.132610 0.062801 0.000000
EDGE 1 -0.132610 -0.062801 0.000000
EDGE 1 0.132610 0.437199 0.000000
EDGE 1 0.132610 -0.062801 0.500000
EDGE 1 0.132610 -0.062801 -0.500000

#MMJT_TO_anneal_parms 11 11.485508336 8.629944281 5.405906089 0.132610258 0.062801009 -0.000019388 0.132294131 0.000060952 0.196588804 -0.000029881 0.249979456 0.041615367
# Graph Descriptor
# 39
# 1
# 0 
# 3
# 0 3 0
# 0 13 0
# 0 16 0

Viewer

39L_1_7

CIF file

CGD file