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8L_2_333

Structure Data

Name

8L_2_333

Type Code

n/a

Spacegroup

C m

Energy (eV/TO₂)

0.91

FD (T/1000 Å³)

27.000

UC volume (Å³)

222.220

avg. TD₁₀

361

Lattice Parameters

3.241

9.820

11.381

90.000

142.159

90.000

Topological Data

CS and VS

CS T1	1 4 10 15 23 32 40 47 55 62 70 77 85 92 100 107
VS T1	3.5.5.6.5.6
CS T2	1 4 10 18 24 34 38 50 52 66 66 82 80 98 94 114
VS T2	3.0.5.5.5.5

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_8L_2_333_2D_bgbmin.cif
# energy = 0.908081
#FD = 27.00 T-atoms/1000 Angstroms^3

_cell_length_a           3.2410
_cell_length_b           9.8205
_cell_length_c           11.3808
_cell_angle_alpha        90.0000
_cell_angle_beta         142.1587
_cell_angle_gamma        90.0000
_symmetry_space_group_name_H-M  'C m'
_symmetry_Int_Tables_number 8

loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Si Si1 0.00000 0.14232 0.00000
O O_11_1 -0.41965 0.00000 -0.12131
O O_11_2 0.20066 0.20523 -0.07159
O O_12_1 0.64768 0.12736 0.23197
Si Si2 0.05475 0.00000 0.37851
O O_22_1 -0.15524 0.00000 0.48304

_iza_sc_Energy_eV_TO2 = 0.908081

_iza_sc_FrameworkDensity = 26.999816

_iza_sc_avgTD10 = 360.333

loop_
_iza_sc_CoordinationSequence
1 4 10 15 23 32 40 47 55 62 70 77 85 92 100 107 
1 4 10 18 24 34 38 50 52 66 66 82 80 98 94 114

loop_
_iza_sc_VertexSymbols
3.5.5.6.5.6
3.0.5.5.5.5

loop_
_iza_sc_Systre_edges
ATOM 1 4 0.000000 0.142316 0.000000
EDGE 1 0.000000 -0.142316 0.000000
EDGE 1 0.500000 0.357684 0.000000
EDGE 1 1.054751 0.000000 0.378506
EDGE 1 -0.500000 0.357684 0.000000
ATOM 2 4 0.054751 0.000000 0.378506
EDGE 2 1.054751 0.000000 0.378506
EDGE 2 -1.000000 0.142316 0.000000
EDGE 2 -0.945249 0.000000 0.378506
EDGE 2 -1.000000 -0.142316 0.000000

#MMJT_TO_anneal_parms 17 3.241030040 9.820546069 11.380816618 2.481136600 0.142315563 0.054751115 0.378506118 -0.419647180 -0.121307672 0.200663196 0.205226040 -0.071587209 0.647678554 0.127364568 0.231971836 -0.155236145 0.483038011 0.908080733
# Graph Descriptor
# 8
# 2
# 0 1 
# 4
# 0 9 0
# 0 18 0
# 0 3 1
# 1 3 1

Viewer

8L_2_333

CIF file

CGD file