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115L_1_8

Structure Data

Name

115L_1_8

Type Code

n/a

Spacegroup

115

P -4 m 2

Energy (eV/TO₂)

0.12

FD (T/1000 Å³)

16.769

UC volume (Å³)

238.542

avg. TD₁₀

Lattice Parameters

9.255

2.785

90.000

Topological Data

CS and VS

CS T1	1 4 7 8 8 8 8 8 8 8 8 8 8 8 8 8
VS T1	4.4.4.4.4.0

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_115L_1_8_1D_bgbmin.cif
# energy = 0.117742
#FD = 16.77 T-atoms/1000 Angstroms^3

_cell_length_a           9.2552
_cell_length_b           9.2552
_cell_length_c           2.7848
_cell_angle_alpha        90.0000
_cell_angle_beta         90.0000
_cell_angle_gamma        90.0000
_symmetry_space_group_name_H-M  'P -4 m 2'
_symmetry_Int_Tables_number 115

loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Si Si1 0.17174 0.17174 0.50000
O O_11_1 0.00000 0.20089 0.49997
O O_11_2 0.23846 0.23846 0.00000

_iza_sc_Energy_eV_TO2 = 0.117742

_iza_sc_FrameworkDensity = 16.768761

_iza_sc_avgTD10 = 76.000

loop_
_iza_sc_CoordinationSequence
1 4 7 8 8 8 8 8 8 8 8 8 8 8 8 8

loop_
_iza_sc_VertexSymbols
4.4.4.4.4.0

loop_
_iza_sc_Systre_edges
ATOM 1 4 0.171739 0.171739 0.500000
EDGE 1 0.171739 -0.171739 0.500000
EDGE 1 0.171739 0.171739 -0.500000
EDGE 1 -0.171739 0.171739 0.500000
EDGE 1 0.171739 0.171739 1.500000

#MMJT_TO_anneal_parms 6 9.255155511 2.784784388 0.171738899 0.200892138 0.499966583 0.238459658 0.117742008
# Graph Descriptor
# 115
# 1
# 14 
# 2
# 0 6 0
# 0 17 0

Viewer

115L_1_8

CIF file

CGD file