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175L_1_8

Structure Data

Name

175L_1_8

Type Code

n/a

Spacegroup

175

P 6/m

Energy (eV/TO₂)

0.01

FD (T/1000 Å³)

9.854

UC volume (Å³)

1217.767

avg. TD₁₀

303

Lattice Parameters

9.157

16.769

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_8_2D_bgbmin.cif
# energy = 0.010464
#FD = 9.85 T-atoms/1000 Angstroms^3

_cell_length_a           9.1571
_cell_length_b           9.1571
_cell_length_c           16.7694
_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 0.33257 0.00000 0.09633
O O_11_1 0.50000 0.50000 0.12757
O O_11_2 0.16668 -0.16668 0.12936
O O_11_3 0.33028 0.00000 0.00000

_iza_sc_Energy_eV_TO2 = 0.010464

_iza_sc_FrameworkDensity = 9.854217

_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 0.332570 0.000002 0.096330
EDGE 1 0.667430 -0.000002 0.096330
EDGE 1 0.000002 -0.332569 0.096330
EDGE 1 0.332570 0.000002 -0.096330
EDGE 1 0.332569 0.332570 0.096330

#MMJT_TO_anneal_parms 11 9.157058725 16.769360419 0.332570448 0.000001710 0.096329978 0.127574014 0.166677170 -0.166675091 0.129364320 0.330276909 0.000004422 0.010463566
# Graph Descriptor
# 175
# 1
# 0 
# 3
# 0 6 0
# 0 8 0
# 0 20 0

Viewer

175L_1_8

CIF file

CGD file