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47L_1_5

Structure Data

Name

47L_1_5

Type Code

n/a

Spacegroup

P m m m

Energy (eV/TO₂)

0.10

FD (T/1000 Å³)

16.288

UC volume (Å³)

245.577

avg. TD₁₀

Lattice Parameters

2.773

9.197

9.627

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_47L_1_5_1D_bgbmin.cif
# energy = 0.095409
#FD = 16.29 T-atoms/1000 Angstroms^3

_cell_length_a           2.7735
_cell_length_b           9.1971
_cell_length_c           9.6274
_cell_angle_alpha        90.0000
_cell_angle_beta         90.0000
_cell_angle_gamma        90.0000
_symmetry_space_group_name_H-M  'P m m m'
_symmetry_Int_Tables_number 47

loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Si Si1 0.50000 0.16230 0.16712
O O_11_1 0.50000 0.00000 0.23337
O O_11_2 0.50000 0.14666 0.00000
O O_11_3 0.00000 0.24405 0.21358

_iza_sc_Energy_eV_TO2 = 0.095409

_iza_sc_FrameworkDensity = 16.287934

_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 0.500000 0.162302 0.167116
EDGE 1 0.500000 -0.162302 0.167116
EDGE 1 0.500000 0.162302 -0.167116
EDGE 1 -0.500000 0.162302 0.167116
EDGE 1 1.500000 0.162302 0.167116

#MMJT_TO_anneal_parms 9 2.773543634 9.197061764 9.627419065 0.162301715 0.167115953 0.233371848 0.146658290 0.244045161 0.213576400 0.095409113
# Graph Descriptor
# 47
# 1
# 26 
# 3
# 0 3 0
# 0 7 0
# 0 25 0

Viewer

47L_1_5

CIF file

CGD file