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35L_2_323

Structure Data

Name

35L_2_323

Type Code

n/a

Spacegroup

C m m 2

Energy (eV/TO₂)

0.43

FD (T/1000 Å³)

13.671

UC volume (Å³)

877.735

avg. TD₁₀

294

Lattice Parameters

11.213

6.332

12.363

90.000

Topological Data

CS and VS

CS T1	1 4 8 14 20 26 32 38 44 50 56 62 68 74 80 86
VS T1	3.0.4.4.8_{2}.8_{2}
CS T2	1 4 8 13 19 26 33 38 44 51 56 62 69 74 80 87
VS T2	3.4.4.8_{2}.8_{2}.8_{2}

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_35L_2_323_2D_bgbmin.cif
# energy = 0.425287
#FD = 13.67 T-atoms/1000 Angstroms^3

_cell_length_a           11.2131
_cell_length_b           6.3315
_cell_length_c           12.3632
_cell_angle_alpha        90.0000
_cell_angle_beta         90.0000
_cell_angle_gamma        90.0000
_symmetry_space_group_name_H-M  'C m m 2'
_symmetry_Int_Tables_number 35

loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Si Si1 0.12610 0.23728 0.00000
O O_11_1 0.25000 0.25000 -0.06900
O O_11_2 0.11284 0.00000 0.00812
O O_11_3 0.00000 0.30481 -0.05670
O O_12_1 0.13839 0.28962 0.12731
Si Si2 0.25000 0.25000 0.20834
O O_22_1 0.26490 0.50000 0.26885

_iza_sc_Energy_eV_TO2 = 0.425287

_iza_sc_FrameworkDensity = 13.671467

_iza_sc_avgTD10 = 293.000

loop_
_iza_sc_CoordinationSequence
1 4 8 13 19 26 33 38 44 51 56 62 69 74 80 87 
1 4 8 14 20 26 32 38 44 50 56 62 68 74 80 86

loop_
_iza_sc_VertexSymbols
3.4.4.8_{2}.8_{2}.8_{2}
3.0.4.4.8_{2}.8_{2}

loop_
_iza_sc_Systre_edges
ATOM 1 4 0.126097 0.237278 0.000000
EDGE 1 0.373903 0.262722 0.000000
EDGE 1 0.126097 -0.237278 0.000000
EDGE 1 -0.126097 0.237278 0.000000
EDGE 1 0.250000 0.250000 0.208336
ATOM 2 4 0.250000 0.250000 0.208336
EDGE 2 0.250000 -0.250000 0.208336
EDGE 2 0.126097 0.237278 0.000000
EDGE 2 0.250000 0.750000 0.208336
EDGE 2 0.373903 0.262722 0.000000

#MMJT_TO_anneal_parms 16 11.213051340 6.331544980 12.363249463 0.126096527 0.237277729 0.208335794 -0.068998276 0.112840426 0.008123261 0.304806872 -0.056696993 0.138388767 0.289619286 0.127310913 0.264898195 0.268847867 0.425287285
# Graph Descriptor
# 35
# 2
# 0 3 
# 5
# 0 9 0
# 0 12 0
# 0 18 0
# 0 0 1
# 1 12 1

Viewer

35L_2_323

CIF file

CGD file