Viewer

10L_2_11

Structure Data

Name

10L_2_11

Type Code

n/a

Spacegroup

P 2/m

Energy (eV/TO₂)

0.93

FD (T/1000 Å³)

21.512

UC volume (Å³)

371.881

avg. TD₁₀

425

Lattice Parameters

6.989

22.016

3.080

90.000

128.315

90.000

Topological Data

CS and VS

CS T1	1 4 9 15 25 35 45 55 65 75 85 95 105 115 125 135
VS T1	4.5.4.5_{2}.4.0
CS T2	1 4 11 19 27 37 47 57 67 77 87 97 107 117 127 137
VS T2	4.6.5.0.5_{3}.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_10L_2_11_2D_bgbmin.cif
# energy = 0.934949
#FD = 21.51 T-atoms/1000 Angstroms^3

_cell_length_a           6.9889
_cell_length_b           22.0156
_cell_length_c           3.0804
_cell_angle_alpha        90.0000
_cell_angle_beta         128.3147
_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 0.27130 0.18482 0.41009
O O_11_1 0.31305 0.15396 0.97417
O O_11_2 0.00000 0.17416 1.00000
O O_12_1 0.29246 0.25785 0.41811
Si Si2 0.22373 0.32570 0.49687
O O_22_1 0.00000 0.36894 1.00000
O O_22_2 0.00000 0.30989 0.50000
O O_22_3 0.50000 0.35802 1.00000

_iza_sc_Energy_eV_TO2 = 0.934949

_iza_sc_FrameworkDensity = 21.512143

_iza_sc_avgTD10 = 424.000

loop_
_iza_sc_CoordinationSequence
1 4 9 15 25 35 45 55 65 75 85 95 105 115 125 135 
1 4 11 19 27 37 47 57 67 77 87 97 107 117 127 137

loop_
_iza_sc_VertexSymbols
4.5.4.5_{2}.4.0
4.6.5.0.5_{3}.6

loop_
_iza_sc_Systre_edges
ATOM 1 4 0.271303 0.184816 0.410092
EDGE 1 0.271303 0.184816 1.410092
EDGE 1 -0.271303 0.184816 -0.410092
EDGE 1 0.223726 0.325703 0.496869
EDGE 1 0.271303 0.184816 -0.589908
ATOM 2 4 0.223726 0.325703 0.496869
EDGE 2 -0.223726 0.325703 -0.496869
EDGE 2 -0.223726 0.325703 0.503131
EDGE 2 0.776274 0.325703 1.503131
EDGE 2 0.271303 0.184816 0.410092

#MMJT_TO_anneal_parms 20 6.988939533 22.015607634 3.080395187 2.239513944 0.271303448 0.184816170 0.410091907 0.223726296 0.325703071 0.496869217 0.313050113 0.153959628 0.974168827 0.174162114 0.292460364 0.257853228 0.418112491 0.368941011 0.309885520 0.358015265 0.934949474
# Graph Descriptor
# 10
# 2
# 0 0 
# 6
# 0 1 0
# 0 3 0
# 0 0 1
# 1 3 1
# 1 4 1
# 1 8 1

Viewer

10L_2_11

CIF file

CGD file