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10L_2_11935

Structure Data

Name

10L_2_11935

Type Code

sql

Spacegroup

P 2/m

Energy (eV/TO₂)

0.15

FD (T/1000 Å³)

11.806

UC volume (Å³)

338.794

avg. TD₁₀

222

Lattice Parameters

5.915

23.305

2.786

90.000

61.897

90.000

Topological Data

CS and VS

CS T1	1 4 8 12 16 20 24 28 32 36 40 44 48 52 56 60
VS T1	4.4.4.4.0.0

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_11935_2D_bgbmin.cif
# energy = 0.147320
#FD = 11.81 T-atoms/1000 Angstroms^3

_cell_length_a           5.9150
_cell_length_b           23.3051
_cell_length_c           2.7862
_cell_angle_alpha        90.0000
_cell_angle_beta         61.8968
_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 0.30029 1.00000
O O_11_1 0.00000 0.33770 0.50000
O O_12_1 0.25000 0.25980 0.74999
Si Si2 0.50000 0.21932 0.50000
O O_22_1 0.50000 0.18192 1.00000

_iza_sc_Energy_eV_TO2 = 0.147320

_iza_sc_FrameworkDensity = 11.806396

_iza_sc_avgTD10 = 221.000

loop_
_iza_sc_CoordinationSequence
1 4 8 12 16 20 24 28 32 36 40 44 48 52 56 60 
1 4 8 12 16 20 24 28 32 36 40 44 48 52 56 60

loop_
_iza_sc_VertexSymbols
4.4.4.4.0.0
4.4.4.4.0.0

loop_
_iza_sc_Systre_edges
ATOM 1 4 0.000000 0.300288 1.000000
EDGE 1 0.000000 0.300288 2.000000
EDGE 1 0.500000 0.219324 0.500000
EDGE 1 0.000000 0.300288 0.000000
EDGE 1 -0.500000 0.219324 1.500000
ATOM 2 4 0.500000 0.219324 0.500000
EDGE 2 0.500000 0.219324 1.500000
EDGE 2 0.000000 0.300288 1.000000
EDGE 2 0.500000 0.219324 -0.500000
EDGE 2 1.000000 0.300288 0.000000

#MMJT_TO_anneal_parms 11 5.915040289 23.305139539 2.786217841 1.080303280 0.300288006 0.219324170 0.337695890 0.249995764 0.259804049 0.749992571 0.181917670 0.147319625
# Graph Descriptor
# 10
# 2
# 3 5 
# 3
# 0 1 0
# 0 0 1
# 1 1 1

Viewer

10L_2_11935

CIF file

CGD file