Viewer

8L_2_86

Structure Data

Name

8L_2_86

Type Code

n/a

Spacegroup

C m

Energy (eV/TO₂)

0.01

FD (T/1000 Å³)

20.829

UC volume (Å³)

384.079

avg. TD₁₀

303

Lattice Parameters

16.102

9.156

8.891

90.000

162.962

90.000

Topological Data

CS and VS

CS T1	1 4 9 15 21 27 33 39 45 51 57 63 69 75 81 87
VS T1	4.6.4.6.4.6

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_86_2D_bgbmin.cif
# energy = 0.010253
#FD = 20.83 T-atoms/1000 Angstroms^3

_cell_length_a           16.1022
_cell_length_b           9.1559
_cell_length_c           8.8911
_cell_angle_alpha        90.0000
_cell_angle_beta         162.9619
_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 0.16750 0.00000
O O_11_1 -0.05019 0.00000 -0.03452
O O_11_2 0.19702 0.24991 0.46395
O O_12_1 0.15400 0.16998 0.10511
Si Si2 0.30805 0.16751 0.21033
O O_22_1 0.36104 0.00000 0.25050
O O_22_2 0.60963 0.25153 -0.25644

_iza_sc_Energy_eV_TO2 = 0.010253

_iza_sc_FrameworkDensity = 20.829010

_iza_sc_avgTD10 = 302.000

loop_
_iza_sc_CoordinationSequence
1 4 9 15 21 27 33 39 45 51 57 63 69 75 81 87 
1 4 9 15 21 27 33 39 45 51 57 63 69 75 81 87

loop_
_iza_sc_VertexSymbols
4.6.4.6.4.6
4.6.4.6.4.6

loop_
_iza_sc_Systre_edges
ATOM 1 4 0.000000 0.167500 0.000000
EDGE 1 0.000000 -0.167500 0.000000
EDGE 1 0.500000 0.332500 1.000000
EDGE 1 0.308052 0.167510 0.210330
EDGE 1 -0.500000 0.332500 -1.000000
ATOM 2 4 0.308052 0.167510 0.210330
EDGE 2 0.308052 -0.167510 0.210330
EDGE 2 0.808052 0.332490 1.210330
EDGE 2 0.000000 0.167500 0.000000
EDGE 2 -0.191948 0.332490 -0.789670

#MMJT_TO_anneal_parms 21 16.102196960 9.155923897 8.891079478 2.844221187 0.167499671 0.308052069 0.167510415 0.210329596 -0.050189126 -0.034522061 0.197015410 0.249910850 0.463948809 0.153996858 0.169981792 0.105106363 0.361043247 0.250495807 0.609627040 0.251525892 -0.256442216 0.010253319
# Graph Descriptor
# 8
# 2
# 0 0 
# 5
# 0 9 0
# 0 19 0
# 0 0 1
# 1 9 1
# 1 19 1

Viewer

8L_2_86

CIF file

CGD file