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10L_2_6225

Structure Data

Name

10L_2_6225

Type Code

cqe

Spacegroup

P 2/m

Energy (eV/TO₂)

0.80

FD (T/1000 Å³)

6.161

UC volume (Å³)

1298.523

avg. TD₁₀

216

Lattice Parameters

6.636

41.750

6.585

90.000

134.615

90.000

Topological Data

CS and VS

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

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_6225_2D_bgbmin.cif
# energy = 0.797988
#FD = 6.16 T-atoms/1000 Angstroms^3

_cell_length_a           6.6356
_cell_length_b           41.7497
_cell_length_c           6.5847
_cell_angle_alpha        90.0000
_cell_angle_beta         134.6155
_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 0.21242 0.26234 0.00000
O O_11_1 0.00000 0.28359 1.00000
O O_12_1 0.23322 0.27080 0.76889
O O_12_2 0.07241 0.24508 0.26591
O O_12_3 0.44254 0.23394 0.22741
Si Si2 0.22522 0.24081 0.59053
O O_22_1 0.00000 0.21266 0.50000

_iza_sc_Energy_eV_TO2 = 0.797988

_iza_sc_FrameworkDensity = 6.160883

_iza_sc_avgTD10 = 215.000

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

loop_
_iza_sc_VertexSymbols
3.6.4.6.0.0
3.4.3.6.0.0

loop_
_iza_sc_Systre_edges
ATOM 1 4 0.212418 0.262337 0.000000
EDGE 1 -0.212418 0.262337 -0.000000
EDGE 1 0.225219 0.240810 -0.409471
EDGE 1 -0.225219 0.240810 -0.590529
EDGE 1 0.774781 0.240810 0.409471
ATOM 2 4 0.225219 0.240810 0.590529
EDGE 2 -0.225219 0.240810 0.409471
EDGE 2 0.212418 0.262337 1.000000
EDGE 2 -0.212418 0.262337 -0.000000
EDGE 2 0.787582 0.262337 1.000000

#MMJT_TO_anneal_parms 21 6.635598432 41.749663032 6.584673235 2.349484382 0.212417567 0.262337436 0.000000143 0.225219232 0.240810390 0.590529306 0.283593162 0.233221808 0.270803529 0.768894248 0.072406443 0.245082604 0.265913233 0.442536150 0.233940996 0.227406860 0.212659073 0.797988160
# Graph Descriptor
# 10
# 2
# 0 0 
# 5
# 0 3 0
# 0 2 1
# 0 3 1
# 0 7 1
# 1 4 1

Viewer

10L_2_6225

CIF file

CGD file