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175L_1_11

Structure Data

Name

175L_1_11

Type Code

n/a

Spacegroup

175

P 6/m

Energy (eV/TO₂)

0.01

FD (T/1000 Å³)

14.591

UC volume (Å³)

274.142

avg. TD₁₀

303

Lattice Parameters

5.281

11.349

90.000

120.000

Topological Data

CS and VS

CS T1	1 4 9 15 21 27 33 39 45 51 57 63 69 75 81 87
VS T1	4.6.4.6.4.6

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_175L_1_11_2D_bgbmin.cif
# energy = 0.011162
#FD = 14.59 T-atoms/1000 Angstroms^3

_cell_length_a           5.2814
_cell_length_b           5.2814
_cell_length_c           11.3487
_cell_angle_alpha        90.0000
_cell_angle_beta         90.0000
_cell_angle_gamma        120.0000
_symmetry_space_group_name_H-M  'P 6/m'
_symmetry_Int_Tables_number 175

loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Si Si1 0.66667 0.33333 0.14235
O O_11_1 0.50000 0.50000 0.19059
O O_11_2 0.66667 0.33333 0.00000

_iza_sc_Energy_eV_TO2 = 0.011162

_iza_sc_FrameworkDensity = 14.590853

_iza_sc_avgTD10 = 302.000

loop_
_iza_sc_CoordinationSequence
1 4 9 15 21 27 33 39 45 51 57 63 69 75 81 87

loop_
_iza_sc_VertexSymbols
4.6.4.6.4.6

loop_
_iza_sc_Systre_edges
ATOM 1 4 0.666667 0.333333 0.142353
EDGE 1 0.333333 -0.333333 0.142353
EDGE 1 0.666667 0.333333 -0.142353
EDGE 1 0.333333 0.666667 0.142353
EDGE 1 1.333333 0.666667 0.142353

#MMJT_TO_anneal_parms 4 5.281427484 11.348698051 0.142352542 0.190592146 0.011161761
# Graph Descriptor
# 175
# 1
# 2 
# 2
# 0 6 0
# 0 20 0

Viewer

175L_1_11

CIF file

CGD file