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38L_1_7

Structure Data

Name

38L_1_7

Type Code

sql

Spacegroup

A m m 2

Energy (eV/TO₂)

0.10

FD (T/1000 Å³)

2.979

UC volume (Å³)

1342.758

avg. TD₁₀

222

Lattice Parameters

2.786

98.345

4.900

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_38L_1_7_2D_bgbmin.cif
# energy = 0.095506
#FD = 2.98 T-atoms/1000 Angstroms^3

_cell_length_a           2.7862
_cell_length_b           98.3454
_cell_length_c           4.9004
_cell_angle_alpha        90.0000
_cell_angle_beta         90.0000
_cell_angle_gamma        90.0000
_symmetry_space_group_name_H-M  'A m m 2'
_symmetry_Int_Tables_number 38

loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Si Si1 0.50000 0.25901 0.00000
O O_11_1 0.50000 0.25482 0.31996
O O_11_2 0.00000 0.26728 -0.06417

_iza_sc_Energy_eV_TO2 = 0.095506

_iza_sc_FrameworkDensity = 2.978984

_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 0.500000 0.259009 0.000000
EDGE 1 0.500000 0.240991 0.500000
EDGE 1 -0.500000 0.259009 0.000000
EDGE 1 0.500000 0.240991 -0.500000
EDGE 1 1.500000 0.259009 0.000000

#MMJT_TO_anneal_parms 8 2.786158579 98.345398978 4.900405342 0.259008955 0.254821992 0.319962331 0.267277600 -0.064169744 0.095505543
# Graph Descriptor
# 38
# 1
# 8 
# 2
# 0 11 0
# 0 17 0

Viewer

38L_1_7

CIF file

CGD file