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17L_1_5

Structure Data

Name

17L_1_5

Type Code

n/a

Spacegroup

P 2 2 21

Energy (eV/TO₂)

0.32

FD (T/1000 Å³)

5.050

UC volume (Å³)

792.084

avg. TD₁₀

Lattice Parameters

11.047

26.282

2.728

90.000

Topological Data

CS and VS

CS T1	1 4 8 8 8 8 8 8 8 8 8 8 8 8 8 8
VS T1	4.4.4.4.5_{3}.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_17L_1_5_1D_bgbmin.cif
# energy = 0.321316
#FD = 5.05 T-atoms/1000 Angstroms^3

_cell_length_a           11.0474
_cell_length_b           26.2825
_cell_length_c           2.7280
_cell_angle_alpha        90.0000
_cell_angle_beta         90.0000
_cell_angle_gamma        90.0000
_symmetry_space_group_name_H-M  'P 2 2 21'
_symmetry_Int_Tables_number 17

loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Si Si1 0.13372 0.06031 0.12451
O O_11_1 0.20306 0.07818 0.62449
O O_11_2 0.00000 0.08340 0.25000
O O_11_3 0.12135 0.00000 1.00000

_iza_sc_Energy_eV_TO2 = 0.321316

_iza_sc_FrameworkDensity = 5.049863

_iza_sc_avgTD10 = 77.000

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

loop_
_iza_sc_VertexSymbols
4.4.4.4.5_{3}.0

loop_
_iza_sc_Systre_edges
ATOM 1 4 0.133719 0.060307 0.124510
EDGE 1 0.133719 0.060307 1.124510
EDGE 1 -0.133719 0.060307 0.375490
EDGE 1 0.133719 -0.060307 -0.124510
EDGE 1 0.133719 0.060307 -0.875490

#MMJT_TO_anneal_parms 11 11.047449358 26.282503282 2.728045609 0.133718580 0.060307075 0.124509641 0.203062466 0.078180188 0.624493347 0.083399691 0.121347792 0.321316045
# Graph Descriptor
# 17
# 1
# 0 
# 3
# 0 1 0
# 0 11 0
# 0 15 0

Viewer

17L_1_5

CIF file

CGD file