Viewer

10L_2_10138

Structure Data

Name

10L_2_10138

Type Code

n/a

Spacegroup

P 2/m

Energy (eV/TO₂)

0.64

FD (T/1000 Å³)

9.921

UC volume (Å³)

604.754

avg. TD₁₀

109

Lattice Parameters

16.341

12.950

2.914

90.000

101.300

90.000

Topological Data

CS and VS

CS T1	1 4 10 10 10 12 12 12 12 12 12 12 12 12 12 12
VS T1	3.5_{2}.5.5.5.5
CS T2	1 4 8 12 12 12 12 12 12 12 12 12 12 12 12 12
VS T2	3.0.4.5.4.5

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_10138_1D_bgbmin.cif
# energy = 0.642581
#FD = 9.92 T-atoms/1000 Angstroms^3

_cell_length_a           16.3415
_cell_length_b           12.9504
_cell_length_c           2.9141
_cell_angle_alpha        90.0000
_cell_angle_beta         101.2996
_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 0.23813 0.38281 0.01182
O O_11_1 0.26566 0.32844 0.54206
O O_11_2 0.27493 0.50000 0.05227
O O_12_1 0.13668 0.39300 0.90029
Si Si2 0.08393 0.50000 0.84220
O O_22_1 0.00000 0.50000 0.50000
O O_22_2 0.00000 0.50000 0.00000

_iza_sc_Energy_eV_TO2 = 0.642581

_iza_sc_FrameworkDensity = 9.921478

_iza_sc_avgTD10 = 108.333

loop_
_iza_sc_CoordinationSequence
1 4 8 12 12 12 12 12 12 12 12 12 12 12 12 12 
1 4 10 10 10 12 12 12 12 12 12 12 12 12 12 12

loop_
_iza_sc_VertexSymbols
3.0.4.5.4.5
3.5_{2}.5.5.5.5

loop_
_iza_sc_Systre_edges
ATOM 1 4 0.238131 0.382808 0.011823
EDGE 1 0.238131 0.382808 1.011823
EDGE 1 0.238131 0.617192 0.011823
EDGE 1 0.083929 0.500000 -0.157799
EDGE 1 0.238131 0.382808 -0.988177
ATOM 2 4 0.083929 0.500000 0.842201
EDGE 2 -0.083929 0.500000 0.157799
EDGE 2 -0.083929 0.500000 1.157799
EDGE 2 0.238131 0.382808 1.011823
EDGE 2 0.238131 0.617192 1.011823

#MMJT_TO_anneal_parms 17 16.341459859 12.950370141 2.914089080 1.768011413 0.238131102 0.382807827 0.011823336 0.083929172 0.842200507 0.265660135 0.328441607 0.542064068 0.274927546 0.052266809 0.136682820 0.392996995 0.900292862 0.642581160
# Graph Descriptor
# 10
# 2
# 0 20 
# 5
# 0 1 0
# 0 24 0
# 0 2 1
# 1 4 1
# 1 5 1

Viewer

10L_2_10138

CIF file

CGD file