Viewer

10L_2_6534

Structure Data

Name

10L_2_6534

Type Code

cqe

Spacegroup

P 2/m

Energy (eV/TO₂)

0.43

FD (T/1000 Å³)

9.238

UC volume (Å³)

865.998

avg. TD₁₀

216

Lattice Parameters

8.915

27.680

5.197

90.000

137.526

90.000

Topological Data

CS and VS

CS T1	1 4 8 11 16 20 22 28 32 33 40 44 44 52 56 55
VS T1	3.6.4.6.0.0
CS T2	1 4 7 13 15 18 26 26 29 39 37 40 52 48 51 65
VS T2	3.4.3.6.0.0

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_10L_2_6534_2D_bgbmin.cif
# energy = 0.430469
#FD = 9.24 T-atoms/1000 Angstroms^3

_cell_length_a           8.9150
_cell_length_b           27.6804
_cell_length_c           5.1970
_cell_angle_alpha        90.0000
_cell_angle_beta         137.5257
_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 0.13559 0.26615 0.48604
O O_11_1 0.00000 0.22747 0.50000
O O_12_1 0.24986 0.24834 0.34901
O O_12_2 0.32908 0.27576 0.93755
O O_12_3 0.03233 0.31291 -0.20761
Si Si2 0.28364 0.29284 0.16806
O O_22_1 0.50000 0.32844 0.50000

_iza_sc_Energy_eV_TO2 = 0.430469

_iza_sc_FrameworkDensity = 9.237840

_iza_sc_avgTD10 = 215.000

loop_
_iza_sc_CoordinationSequence
1 4 7 13 15 18 26 26 29 39 37 40 52 48 51 65 
1 4 8 11 16 20 22 28 32 33 40 44 44 52 56 55

loop_
_iza_sc_VertexSymbols
3.4.3.6.0.0
3.6.4.6.0.0

loop_
_iza_sc_Systre_edges
ATOM 1 4 0.135594 0.266145 0.486039
EDGE 1 -0.135594 0.266145 0.513961
EDGE 1 0.283635 0.292839 0.168061
EDGE 1 0.283635 0.292839 1.168061
EDGE 1 -0.283635 0.292839 -0.168061
ATOM 2 4 0.283635 0.292839 0.168061
EDGE 2 0.716365 0.292839 0.831939
EDGE 2 0.135594 0.266145 0.486039
EDGE 2 0.135594 0.266145 -0.513961
EDGE 2 -0.135594 0.266145 -0.486039

#MMJT_TO_anneal_parms 21 8.914973250 27.680396178 5.197045308 2.400276192 0.135594212 0.266145332 0.486039351 0.283635442 0.292838645 0.168061209 0.227474167 0.249857533 0.248339088 0.349006443 0.329084418 0.275761426 0.937554901 0.032330994 0.312909564 -0.207610476 0.328436116 0.430468980
# Graph Descriptor
# 10
# 2
# 0 0 
# 5
# 0 4 0
# 0 0 1
# 0 1 1
# 0 3 1
# 1 7 1

Viewer

10L_2_6534

CIF file

CGD file