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10L_2_10561

Structure Data

Name

10L_2_10561

Type Code

n/a

Spacegroup

P 2/m

Energy (eV/TO₂)

0.31

FD (T/1000 Å³)

18.128

UC volume (Å³)

330.982

avg. TD₁₀

403

Lattice Parameters

9.102

15.260

5.745

90.000

155.495

90.000

Topological Data

CS and VS

CS T1	1 4 10 18 27 36 45 54 63 72 81 90 99 108 117 126
VS T1	4.6.4.6.6.6
CS T2	1 4 8 15 24 33 42 51 60 69 78 87 96 105 114 123
VS T2	4.4.4.4.6.10_{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_10L_2_10561_2D_bgbmin.cif
# energy = 0.308234
#FD = 18.13 T-atoms/1000 Angstroms^3

_cell_length_a           9.1019
_cell_length_b           15.2601
_cell_length_c           5.7452
_cell_angle_alpha        90.0000
_cell_angle_beta         155.4950
_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 0.08147 0.31061 0.38120
O O_11_1 0.00000 0.26821 1.00000
O O_11_2 0.00000 0.25124 0.50000
O O_11_3 0.50000 0.32908 1.00000
O O_12_1 -0.12863 0.40619 0.10951
Si Si2 0.06917 0.50000 0.35637
O O_22_1 0.00000 0.50000 1.00000
O O_22_2 0.50000 0.50000 0.00000

_iza_sc_Energy_eV_TO2 = 0.308234

_iza_sc_FrameworkDensity = 18.127939

_iza_sc_avgTD10 = 402.333

loop_
_iza_sc_CoordinationSequence
1 4 10 18 27 36 45 54 63 72 81 90 99 108 117 126 
1 4 8 15 24 33 42 51 60 69 78 87 96 105 114 123

loop_
_iza_sc_VertexSymbols
4.6.4.6.6.6
4.4.4.4.6.10_{2}

loop_
_iza_sc_Systre_edges
ATOM 1 4 0.081473 0.310608 0.381200
EDGE 1 -0.081473 0.310608 -0.381200
EDGE 1 -0.081473 0.310608 0.618800
EDGE 1 0.918527 0.310608 1.618800
EDGE 1 0.069171 0.500000 0.356371
ATOM 2 4 0.069171 0.500000 0.356371
EDGE 2 -0.069171 0.500000 -0.356371
EDGE 2 0.930829 0.500000 1.643629
EDGE 2 0.081473 0.310608 0.381200
EDGE 2 0.081473 0.689392 0.381200

#MMJT_TO_anneal_parms 15 9.101889053 15.260067035 5.745192464 2.713899554 0.081473097 0.310607746 0.381199788 0.069171289 0.356370507 0.268206037 0.251244926 0.329077244 -0.128634103 0.406191406 0.109505005 0.308234275
# Graph Descriptor
# 10
# 2
# 0 20 
# 6
# 0 3 0
# 0 4 0
# 0 8 0
# 0 0 1
# 1 3 1
# 1 8 1

Viewer

10L_2_10561

CIF file

CGD file