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59L_1_1

Structure Data

Name

59L_1_1

Type Code

n/a

Spacegroup

P m m n

Energy (eV/TO₂)

0.08

FD (T/1000 Å³)

11.437

UC volume (Å³)

699.459

avg. TD₁₀

222

Lattice Parameters

24.343

5.473

5.250

90.000

Topological Data

CS and VS

CS T1	1 4 8 12 16 20 24 28 32 36 40 44 48 52 56 60
VS T1	4.4.4.4.0.0

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_59L_1_1_2D_bgbmin.cif
# energy = 0.075227
#FD = 11.44 T-atoms/1000 Angstroms^3

_cell_length_a           24.3432
_cell_length_b           5.4731
_cell_length_c           5.2499
_cell_angle_alpha        90.0000
_cell_angle_beta         90.0000
_cell_angle_gamma        90.0000
_space_group_name_H-M_alt  'P m m n:1'
_symmetry_Int_Tables_number 59

loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Si Si1 0.28869 0.25000 0.25000
O O_11_1 0.25000 0.25000 0.00000
O O_11_2 0.25000 0.25000 0.50000
O O_11_3 0.32546 0.00000 0.24998
O O_11_4 0.32546 0.50000 0.24999

_iza_sc_Energy_eV_TO2 = 0.075227

_iza_sc_FrameworkDensity = 11.437445

_iza_sc_avgTD10 = 221.000

loop_
_iza_sc_CoordinationSequence
1 4 8 12 16 20 24 28 32 36 40 44 48 52 56 60

loop_
_iza_sc_VertexSymbols
4.4.4.4.0.0

loop_
_iza_sc_Systre_edges
ATOM 1 4 0.288695 0.250000 0.249997
EDGE 1 0.211305 0.250000 -0.249997
EDGE 1 0.211305 0.250000 0.750003
EDGE 1 0.288695 -0.250000 0.249997
EDGE 1 0.288695 0.750000 0.249997

#MMJT_TO_anneal_parms 10 24.343222913 5.473088233 5.249892758 0.288694674 0.249999719 0.249997302 0.325462585 0.249982806 0.325460612 0.249989299 0.075227442
# Graph Descriptor
# 59
# 1
# 0 
# 4
# 0 13 0
# 0 14 0
# 0 23 0
# 0 24 0

Viewer

59L_1_1

CIF file

CGD file