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10L_2_409

Structure Data

Name

10L_2_409

Type Code

sql

Spacegroup

P 2/m

Energy (eV/TO₂)

0.09

FD (T/1000 Å³)

9.752

UC volume (Å³)

820.321

avg. TD₁₀

222

Lattice Parameters

8.164

36.231

2.773

90.000

89.987

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_409_2D_bgbmin.cif
# energy = 0.087789
#FD = 9.75 T-atoms/1000 Angstroms^3

_cell_length_a           8.1643
_cell_length_b           36.2313
_cell_length_c           2.7732
_cell_angle_alpha        90.0000
_cell_angle_beta         89.9869
_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 0.18799 0.16968 0.50041
O O_11_1 0.27536 0.15563 1.00034
O O_11_2 0.00000 0.15530 0.50000
O O_12_1 0.18716 0.21440 0.50058
Si Si2 0.31584 0.24844 0.50058
O O_22_1 0.29023 0.27192 0.00062
O O_22_2 0.50000 0.23169 0.50000

_iza_sc_Energy_eV_TO2 = 0.087789

_iza_sc_FrameworkDensity = 9.752356

_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 0.187993 0.169677 0.500410
EDGE 1 0.187993 0.169677 1.500410
EDGE 1 -0.187993 0.169677 0.499590
EDGE 1 0.315838 0.248439 0.500579
EDGE 1 0.187993 0.169677 -0.499590
ATOM 2 4 0.315838 0.248439 0.500579
EDGE 2 0.315838 0.248439 1.500579
EDGE 2 0.684162 0.248439 0.499421
EDGE 2 0.187993 0.169677 0.500410
EDGE 2 0.315838 0.248439 -0.499421

#MMJT_TO_anneal_parms 21 8.164255964 36.231252147 2.773195538 1.570567758 0.187992851 0.169677003 0.500409800 0.315837877 0.248439403 0.500578637 0.275360621 0.155629627 1.000338833 0.155295411 0.187162764 0.214396108 0.500576789 0.290227386 0.271918870 0.000617211 0.231690574 0.087788800
# Graph Descriptor
# 10
# 2
# 0 0 
# 5
# 0 1 0
# 0 4 0
# 0 0 1
# 1 1 1
# 1 7 1

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10L_2_409

CIF file

CGD file