Viewer

2L_2_110350

Structure Data

Name

2L_2_110350

Type Code

n/a

Spacegroup

P -1

Energy (eV/TO₂)

0.46

FD (T/1000 Å³)

31.422

UC volume (Å³)

127.299

avg. TD₁₀

382

Lattice Parameters

9.026

9.284

11.116

166.397

144.004

36.185

Topological Data

CS and VS

CS T1	1 4 9 17 26 34 42 50 58 66 74 82 90 98 106 114
VS T1	4.8_{8}.4.8_{12}.4.8_{12}
CS T2	1 4 9 18 26 34 42 50 58 66 74 82 90 98 106 114
VS T2	4.4.4.0.6_{2}.6_{2}

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_2L_2_110350_2D_bgbmin.cif
# energy = 0.462351
#FD = 31.42 T-atoms/1000 Angstroms^3

_cell_length_a           9.0264
_cell_length_b           9.2839
_cell_length_c           11.1157
_cell_angle_alpha        166.3972
_cell_angle_beta         144.0044
_cell_angle_gamma        36.1853
_symmetry_space_group_name_H-M  'P -1'
_symmetry_Int_Tables_number 2

loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Si Si1 0.19123 0.14250 0.00466
O O_11_1 0.25388 -0.15038 0.66683
O O_12_1 0.34757 -0.36701 0.78650
O O_12_2 0.11607 0.88239 0.20129
Si Si2 0.24990 0.48734 0.74046
O O_22_1 0.00000 1.00000 1.00000
O O_22_2 0.50000 0.50000 1.00000

_iza_sc_Energy_eV_TO2 = 0.462351

_iza_sc_FrameworkDensity = 31.421766

_iza_sc_avgTD10 = 381.500

loop_
_iza_sc_CoordinationSequence
1 4 9 18 26 34 42 50 58 66 74 82 90 98 106 114 
1 4 9 17 26 34 42 50 58 66 74 82 90 98 106 114

loop_
_iza_sc_VertexSymbols
4.4.4.0.6_{2}.6_{2}
4.8_{8}.4.8_{12}.4.8_{12}

loop_
_iza_sc_Systre_edges
ATOM 1 4 0.191234 0.142502 0.004659
EDGE 1 0.191234 1.142502 1.004659
EDGE 1 0.249896 -0.512663 -0.259537
EDGE 1 -0.249896 -0.487337 -0.740463
EDGE 1 0.191234 -0.857498 -0.995341
ATOM 2 4 0.249896 0.487337 0.740463
EDGE 2 -0.249896 1.512663 1.259537
EDGE 2 0.750104 0.512663 1.259537
EDGE 2 0.191234 1.142502 1.004659
EDGE 2 -0.191234 -0.142502 -0.004659

#MMJT_TO_anneal_parms 21 9.026443145 9.283892547 11.115724036 2.904178793 2.513350750 0.631553100 0.191234410 0.142501812 0.004659049 0.249895550 0.487336648 0.740463227 0.253876160 -0.150382944 0.666831231 0.347567789 -0.367013437 0.786497265 0.116069689 0.882393124 0.201292210 0.462351384
# Graph Descriptor
# 2
# 2
# 0 0 
# 5
# 0 4 0
# 0 8 1
# 0 9 1
# 1 17 1
# 1 23 1

Viewer

2L_2_110350

CIF file

CGD file