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10L_2_8405

Structure Data

Name

10L_2_8405

Type Code

bew

Spacegroup

P 2/m

Energy (eV/TO₂)

0.70

FD (T/1000 Å³)

13.406

UC volume (Å³)

447.544

avg. TD₁₀

221

Lattice Parameters

4.665

18.170

7.808

90.000

137.448

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	3.6.3.6.0.0
CS T2	1 4 6 14 14 22 22 30 30 38 38 46 46 54 54 62
VS T2	3.3.6.6.0.0

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_8405_2D_bgbmin.cif
# energy = 0.698733
#FD = 13.41 T-atoms/1000 Angstroms^3

_cell_length_a           4.6647
_cell_length_b           18.1699
_cell_length_c           7.8081
_cell_angle_alpha        90.0000
_cell_angle_beta         137.4479
_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 0.27925 0.20296 0.23711
O O_11_1 0.00000 0.14588 1.00000
O O_11_2 0.50000 0.16423 0.50000
O O_12_1 0.61679 0.20962 0.23103
O O_12_2 0.02440 0.27828 0.83882
Si Si2 0.50000 0.24866 1.00000

_iza_sc_Energy_eV_TO2 = 0.698733

_iza_sc_FrameworkDensity = 13.406471

_iza_sc_avgTD10 = 220.333

loop_
_iza_sc_CoordinationSequence
1 4 8 12 16 20 24 28 32 36 40 44 48 52 56 60 
1 4 6 14 14 22 22 30 30 38 38 46 46 54 54 62

loop_
_iza_sc_VertexSymbols
3.6.3.6.0.0
3.3.6.6.0.0

loop_
_iza_sc_Systre_edges
ATOM 1 4 0.279254 0.202958 0.237111
EDGE 1 -0.279254 0.202958 -0.237111
EDGE 1 0.720746 0.202958 0.762889
EDGE 1 0.500000 0.248659 0.000000
EDGE 1 -0.500000 0.248659 0.000000
ATOM 2 4 0.500000 0.248659 1.000000
EDGE 2 0.279254 0.202958 1.237111
EDGE 2 -0.279254 0.202958 0.762889
EDGE 2 0.720746 0.202958 0.762889
EDGE 2 1.279254 0.202958 1.237111

#MMJT_TO_anneal_parms 16 4.664743411 18.169896051 7.808050438 2.398918292 0.279254380 0.202957542 0.237110548 0.248658847 0.145884332 0.164234617 0.616789056 0.209617771 0.231029847 0.024397031 0.278280554 0.838822910 0.698733442
# Graph Descriptor
# 10
# 2
# 0 6 
# 4
# 0 3 0
# 0 7 0
# 0 2 1
# 0 4 1

Viewer

10L_2_8405

CIF file

CGD file