Viewer

8L_2_308

Structure Data

Name

8L_2_308

Type Code

sql

Spacegroup

C m

Energy (eV/TO₂)

0.10

FD (T/1000 Å³)

21.426

UC volume (Å³)

280.038

avg. TD₁₀

222

Lattice Parameters

16.016

6.687

17.197

90.000

171.254

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_8L_2_308_2D_bgbmin.cif
# energy = 0.104674
#FD = 21.43 T-atoms/1000 Angstroms^3

_cell_length_a           16.0156
_cell_length_b           6.6870
_cell_length_c           17.1972
_cell_angle_alpha        90.0000
_cell_angle_beta         171.2543
_cell_angle_gamma        90.0000
_symmetry_space_group_name_H-M  'C m'
_symmetry_Int_Tables_number 8

loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Si Si1 0.00000 0.24073 0.00000
O O_11_1 0.36259 0.32205 0.40775
O O_11_2 -0.02237 0.00000 -0.01554
O O_12_1 -0.18535 0.19711 0.21041
Si Si2 0.00397 0.00000 0.33680
O O_22_1 -0.32033 0.00000 0.95418

_iza_sc_Energy_eV_TO2 = 0.104674

_iza_sc_FrameworkDensity = 21.425716

_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 0.240735 0.000000
EDGE 1 1.000000 0.240735 1.000000
EDGE 1 0.000000 -0.240735 0.000000
EDGE 1 0.503971 0.500000 0.336802
EDGE 1 -1.000000 0.240735 -1.000000
ATOM 2 4 0.003971 0.000000 0.336802
EDGE 2 1.003971 0.000000 1.336802
EDGE 2 -0.500000 0.259265 0.000000
EDGE 2 -0.996029 0.000000 -0.663198
EDGE 2 -0.500000 -0.259265 0.000000

#MMJT_TO_anneal_parms 17 16.015553790 6.687029233 17.197236796 2.988952144 0.240734665 0.003971409 0.336802191 0.362590231 0.322053568 0.407753071 -0.022370341 -0.015535254 -0.185351046 0.197109555 0.210413574 -0.320331765 0.954180344 0.104673921
# Graph Descriptor
# 8
# 2
# 0 1 
# 4
# 0 4 0
# 0 9 0
# 0 18 1
# 1 4 1

Viewer

8L_2_308

CIF file

CGD file