Viewer

10L_2_11948

Structure Data

Name

10L_2_11948

Type Code

sql

Spacegroup

P 2/m

Energy (eV/TO₂)

0.18

FD (T/1000 Å³)

11.192

UC volume (Å³)

357.376

avg. TD₁₀

222

Lattice Parameters

9.902

24.428

2.806

90.000

148.231

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_11948_2D_bgbmin.cif
# energy = 0.179252
#FD = 11.19 T-atoms/1000 Angstroms^3

_cell_length_a           9.9021
_cell_length_b           24.4281
_cell_length_c           2.8062
_cell_angle_alpha        90.0000
_cell_angle_beta         148.2314
_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 0.27149 1.00000
O O_11_1 0.00000 0.30691 0.50000
O O_12_1 0.25000 0.23280 0.75001
Si Si2 0.50000 0.19412 0.50000
O O_22_1 0.50000 0.15869 1.00000

_iza_sc_Energy_eV_TO2 = 0.179252

_iza_sc_FrameworkDensity = 11.192487

_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 0.271485 1.000000
EDGE 1 0.000000 0.271485 2.000000
EDGE 1 -0.500000 0.194122 -0.500000
EDGE 1 0.000000 0.271485 0.000000
EDGE 1 0.500000 0.194122 2.500000
ATOM 2 4 0.500000 0.194122 0.500000
EDGE 2 0.500000 0.194122 1.500000
EDGE 2 0.000000 0.271485 -1.000000
EDGE 2 0.500000 0.194122 -0.500000
EDGE 2 1.000000 0.271485 2.000000

#MMJT_TO_anneal_parms 11 9.902139075 24.428058962 2.806240534 2.587125340 0.271485113 0.194121697 0.306914350 0.250003452 0.232804403 0.750013097 0.158691380 0.179251953
# Graph Descriptor
# 10
# 2
# 3 5 
# 3
# 0 1 0
# 0 3 1
# 1 1 1

Viewer

10L_2_11948

CIF file

CGD file