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164L_1_24

Structure Data

Name

164L_1_24

Type Code

n/a

Spacegroup

164

P -3 m 1

Energy (eV/TO₂)

0.01

FD (T/1000 Å³)

10.803

UC volume (Å³)

1110.763

avg. TD₁₀

303

Lattice Parameters

9.099

15.491

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_164L_1_24_2D_bgbmin.cif
# energy = 0.009794
#FD = 10.80 T-atoms/1000 Angstroms^3

_cell_length_a           9.0994
_cell_length_b           9.0994
_cell_length_c           15.4905
_cell_angle_alpha        90.0000
_cell_angle_beta         90.0000
_cell_angle_gamma        120.0000
_symmetry_space_group_name_H-M  'P -3 m 1'
_symmetry_Int_Tables_number 164

loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Si Si1 0.33319 0.00001 0.39571
O O_11_1 0.33271 0.00000 0.50000
O O_11_2 0.30937 0.15468 0.63935
O O_11_3 0.48799 -0.02403 0.36104
O O_11_4 0.35739 0.17869 0.36073

_iza_sc_Energy_eV_TO2 = 0.009794

_iza_sc_FrameworkDensity = 10.803381

_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 0.333188 0.000008 0.395714
EDGE 1 0.333181 -0.000008 0.604286
EDGE 1 -0.000008 -0.333188 0.395714
EDGE 1 0.666819 0.000008 0.395714
EDGE 1 0.333188 0.333181 0.395714

#MMJT_TO_anneal_parms 12 9.099388083 15.490539549 0.333188406 0.000007582 0.395714389 0.332712446 0.154682797 0.639349974 -0.024026814 0.361036531 0.178694295 0.360726672 0.009794258
# Graph Descriptor
# 164
# 1
# 0 
# 4
# 0 19 0
# 0 36 0
# 0 45 0
# 0 48 0

Viewer

164L_1_24

CIF file

CGD file