Viewer

10L_2_7052

Structure Data

Name

10L_2_7052

Type Code

bew

Spacegroup

P 2/m

Energy (eV/TO₂)

0.69

FD (T/1000 Å³)

12.753

UC volume (Å³)

470.478

avg. TD₁₀

221

Lattice Parameters

4.613

18.784

5.462

90.000

96.190

90.000

Topological Data

CS and VS

CS T1	1 4 6 14 14 22 22 30 30 38 38 46 46 54 54 62
VS T1	3.3.6.6.0.0
CS T2	1 4 8 12 16 20 24 28 32 36 40 44 48 52 56 60
VS T2	3.6.3.6.0.0

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_7052_2D_bgbmin.cif
# energy = 0.689843
#FD = 12.75 T-atoms/1000 Angstroms^3

_cell_length_a           4.6130
_cell_length_b           18.7838
_cell_length_c           5.4615
_cell_angle_alpha        90.0000
_cell_angle_beta         96.1904
_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 0.19186 0.27239
O O_11_1 0.00000 0.22639 1.00000
O O_11_2 0.00000 0.24798 0.50000
O O_12_1 0.21004 0.11221 0.33948
O O_12_2 0.34694 0.18233 0.71618
Si Si2 0.50000 0.14364 0.50000

_iza_sc_Energy_eV_TO2 = 0.689843

_iza_sc_FrameworkDensity = 12.753080

_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 0.000000 0.191865 0.272390
EDGE 1 -0.000000 0.191865 -0.272390
EDGE 1 -0.000000 0.191865 0.727610
EDGE 1 0.500000 0.143640 0.500000
EDGE 1 -0.500000 0.143640 0.500000
ATOM 2 4 0.500000 0.143640 0.500000
EDGE 2 0.000000 0.191865 0.272390
EDGE 2 -0.000000 0.191865 0.727610
EDGE 2 1.000000 0.191865 0.727610
EDGE 2 1.000000 0.191865 0.272390

#MMJT_TO_anneal_parms 16 4.612997290 18.783795537 5.461468113 1.678839526 0.000000012 0.191864557 0.272390346 0.143640000 0.226390626 0.247984905 0.210043953 0.112208884 0.339478110 0.346942620 0.182331885 0.716182927 0.689842952
# Graph Descriptor
# 10
# 2
# 0 5 
# 4
# 0 3 0
# 0 4 0
# 0 0 1
# 0 4 1

Viewer

10L_2_7052

CIF file

CGD file