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10L_2_10413

Structure Data

Name

10L_2_10413

Type Code

n/a

Spacegroup

P 2/m

Energy (eV/TO₂)

0.31

FD (T/1000 Å³)

23.128

UC volume (Å³)

259.422

avg. TD₁₀

403

Lattice Parameters

5.747

11.866

4.970

90.000

130.065

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_10413_2D_bgbmin.cif
# energy = 0.309281
#FD = 23.13 T-atoms/1000 Angstroms^3

_cell_length_a           5.7472
_cell_length_b           11.8663
_cell_length_c           4.9704
_cell_angle_alpha        90.0000
_cell_angle_beta         130.0645
_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 0.21684 0.25622 0.41626
O O_11_1 0.00000 0.27932 1.00000
O O_11_2 0.00000 0.20178 0.50000
O O_11_3 0.50000 0.18035 0.50000
O O_12_1 0.36266 0.37930 0.62297
Si Si2 0.21572 0.50000 0.42742
O O_22_1 0.00000 0.50000 1.00000
O O_22_2 0.00000 0.50000 0.50000

_iza_sc_Energy_eV_TO2 = 0.309281

_iza_sc_FrameworkDensity = 23.128201

_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 0.216840 0.256224 0.416265
EDGE 1 -0.216840 0.256224 -0.416265
EDGE 1 -0.216840 0.256224 0.583735
EDGE 1 0.783160 0.256224 0.583735
EDGE 1 0.215718 0.500000 0.427424
ATOM 2 4 0.215718 0.500000 0.427424
EDGE 2 -0.215718 0.500000 -0.427424
EDGE 2 -0.215718 0.500000 0.572576
EDGE 2 0.216840 0.256224 0.416265
EDGE 2 0.216840 0.743776 0.416265

#MMJT_TO_anneal_parms 15 5.747223649 11.866323025 4.970408383 2.270054302 0.216839667 0.256224202 0.416264600 0.215718017 0.427423658 0.279317422 0.201783051 0.180346530 0.362663511 0.379296095 0.622968765 0.309280662
# Graph Descriptor
# 10
# 2
# 0 20 
# 6
# 0 3 0
# 0 4 0
# 0 7 0
# 0 0 1
# 1 3 1
# 1 4 1

Viewer

10L_2_10413

CIF file

CGD file