Viewer

10L_2_12182

Structure Data

Name

10L_2_12182

Type Code

n/a

Spacegroup

P 2/m

Energy (eV/TO₂)

0.88

FD (T/1000 Å³)

12.885

UC volume (Å³)

310.433

avg. TD₁₀

338

Lattice Parameters

7.034

14.966

3.019

90.000

102.408

90.000

Topological Data

CS and VS

CS T1	1 4 11 16 23 32 36 44 51 54 63 70 72 82 89 90
VS T1	4.5_{2}.5.5.5.5
CS T2	1 4 11 20 24 30 40 42 48 60 60 66 80 78 84 100
VS T2	4.0.5.5.5.5

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_12182_2D_bgbmin.cif
# energy = 0.877325
#FD = 12.89 T-atoms/1000 Angstroms^3

_cell_length_a           7.0343
_cell_length_b           14.9665
_cell_length_c           3.0192
_cell_angle_alpha        90.0000
_cell_angle_beta         102.4083
_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 0.50000 0.34313 0.50000
O O_11_1 0.50000 0.28963 1.00000
O O_12_1 0.30926 0.40607 0.40459
Si Si2 0.19389 0.50000 0.34713
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 = 0.877325

_iza_sc_FrameworkDensity = 12.885237

_iza_sc_avgTD10 = 337.500

loop_
_iza_sc_CoordinationSequence
1 4 11 20 24 30 40 42 48 60 60 66 80 78 84 100 
1 4 11 16 23 32 36 44 51 54 63 70 72 82 89 90

loop_
_iza_sc_VertexSymbols
4.0.5.5.5.5
4.5_{2}.5.5.5.5

loop_
_iza_sc_Systre_edges
ATOM 1 4 0.500000 0.343130 0.500000
EDGE 1 0.500000 0.343130 1.500000
EDGE 1 0.193895 0.500000 0.347127
EDGE 1 0.500000 0.343130 -0.500000
EDGE 1 0.806105 0.500000 0.652873
ATOM 2 4 0.193895 0.500000 0.347127
EDGE 2 -0.193895 0.500000 -0.347127
EDGE 2 -0.193895 0.500000 0.652873
EDGE 2 0.500000 0.343130 0.500000
EDGE 2 0.500000 0.656870 0.500000

#MMJT_TO_anneal_parms 11 7.034343493 14.966490898 3.019180290 1.787362693 0.343129739 0.193894683 0.347126563 0.289630502 0.309264528 0.406068932 0.404593969 0.877324945
# Graph Descriptor
# 10
# 2
# 5 20 
# 4
# 0 1 0
# 0 0 1
# 1 3 1
# 1 4 1

Viewer

10L_2_12182

CIF file

CGD file