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129L_1_1

Structure Data

Name

129L_1_1

Type Code

n/a

Spacegroup

129

P 4/n m m

Energy (eV/TO₂)

0.07

FD (T/1000 Å³)

11.701

UC volume (Å³)

1367.373

avg. TD₁₀

Lattice Parameters

15.809

5.471

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_129L_1_1_1D_bgbmin.cif
# energy = 0.068821
#FD = 11.70 T-atoms/1000 Angstroms^3

_cell_length_a           15.8095
_cell_length_b           15.8095
_cell_length_c           5.4708
_cell_angle_alpha        90.0000
_cell_angle_beta         90.0000
_cell_angle_gamma        90.0000
_space_group_name_H-M_alt  'P 4/n m m:1'
_symmetry_Int_Tables_number 129

loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Si Si1 0.10084 0.10083 0.25000
O O_11_1 0.14090 0.14090 0.00000
O O_11_2 0.14090 0.14090 0.50000
O O_11_3 0.11790 0.00000 0.25001
O O_11_4 0.00000 0.11785 0.25000

_iza_sc_Energy_eV_TO2 = 0.068821

_iza_sc_FrameworkDensity = 11.701218

_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 0.100836 0.100826 0.250001
EDGE 1 0.100826 0.100836 -0.250001
EDGE 1 0.100826 0.100836 0.749999
EDGE 1 0.100836 -0.100826 0.250001
EDGE 1 -0.100836 0.100826 0.250001

#MMJT_TO_anneal_parms 11 15.809539770 5.470795401 0.100835713 0.100825508 0.250001474 0.140903065 0.140904253 0.117899222 0.250008975 0.117847460 0.249997752 0.068821280
# Graph Descriptor
# 129
# 1
# 0 
# 4
# 0 16 0
# 0 17 0
# 0 38 0
# 0 40 0

Viewer

129L_1_1

CIF file

CGD file