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10L_2_8051

Structure Data

Name

10L_2_8051

Type Code

bew

Spacegroup

P 2/m

Energy (eV/TO₂)

0.77

FD (T/1000 Å³)

6.392

UC volume (Å³)

938.721

avg. TD₁₀

221

Lattice Parameters

6.795

37.100

5.467

90.000

42.933

90.000

Topological Data

CS and VS

CS T1	1 4 6 14 14 22 22 30 30 38 38 46 46 54 54 62
VS T1	3.3.6.6.0.0
CS T2	1 4 8 12 16 20 24 28 32 36 40 44 48 52 56 60
VS T2	3.6.3.6.0.0

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_10L_2_8051_2D_bgbmin.cif
# energy = 0.774325
#FD = 6.39 T-atoms/1000 Angstroms^3

_cell_length_a           6.7951
_cell_length_b           37.1005
_cell_length_c           5.4667
_cell_angle_alpha        90.0000
_cell_angle_beta         42.9327
_cell_angle_gamma        90.0000
_symmetry_space_group_name_H-M  'P 2/m'
_symmetry_Int_Tables_number 10

loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Si Si1 0.00000 0.14769 0.27131
O O_11_1 0.00000 0.16546 1.00000
O O_11_2 0.00000 0.17599 0.50000
O O_12_1 0.20917 0.10993 0.12693
O O_12_2 0.34425 0.14312 0.37209
Si Si2 0.50000 0.12418 1.00000

_iza_sc_Energy_eV_TO2 = 0.774325

_iza_sc_FrameworkDensity = 6.391709

_iza_sc_avgTD10 = 220.333

loop_
_iza_sc_CoordinationSequence
1 4 8 12 16 20 24 28 32 36 40 44 48 52 56 60 
1 4 6 14 14 22 22 30 30 38 38 46 46 54 54 62

loop_
_iza_sc_VertexSymbols
3.6.3.6.0.0
3.3.6.6.0.0

loop_
_iza_sc_Systre_edges
ATOM 1 4 0.000002 0.147693 0.271315
EDGE 1 -0.000002 0.147693 -0.271315
EDGE 1 -0.000002 0.147693 0.728685
EDGE 1 0.500000 0.124183 0.000000
EDGE 1 -0.500000 0.124183 1.000000
ATOM 2 4 0.500000 0.124183 1.000000
EDGE 2 0.000002 0.147693 1.271315
EDGE 2 -0.000002 0.147693 1.728685
EDGE 2 0.999998 0.147693 0.728685
EDGE 2 1.000002 0.147693 0.271315

#MMJT_TO_anneal_parms 16 6.795086985 37.100457221 5.466690687 0.749316539 0.000001575 0.147693082 0.271314828 0.124183262 0.165457126 0.175985397 0.209166885 0.109930713 0.126932992 0.344247253 0.143116685 0.372087932 0.774324818
# Graph Descriptor
# 10
# 2
# 0 6 
# 4
# 0 3 0
# 0 4 0
# 0 2 1
# 0 5 1

Viewer

10L_2_8051

CIF file

CGD file