Viewer

10L_2_411

Structure Data

Name

10L_2_411

Type Code

n/a

Spacegroup

P 2/m

Energy (eV/TO₂)

0.09

FD (T/1000 Å³)

13.197

UC volume (Å³)

606.201

avg. TD₁₀

137

Lattice Parameters

18.211

12.134

2.774

90.000

81.433

90.000

Topological Data

CS and VS

CS T1	1 4 8 12 15 16 16 16 16 16 16 16 16 16 16 16
VS T1	4.4.4.4.8.0

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_411_1D_bgbmin.cif
# energy = 0.093442
#FD = 13.20 T-atoms/1000 Angstroms^3

_cell_length_a           18.2107
_cell_length_b           12.1337
_cell_length_c           2.7744
_cell_angle_alpha        90.0000
_cell_angle_beta         81.4334
_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 0.08651 0.29694 0.41604
O O_11_1 0.10342 0.36456 0.89923
O O_11_2 0.00000 0.26079 0.50000
O O_12_1 0.13616 0.18593 0.36749
Si Si2 0.21845 0.13255 0.28735
O O_22_1 0.26041 0.16893 -0.25376
O O_22_2 0.20958 0.00000 0.29615

_iza_sc_Energy_eV_TO2 = 0.093442

_iza_sc_FrameworkDensity = 13.196965

_iza_sc_avgTD10 = 136.000

loop_
_iza_sc_CoordinationSequence
1 4 8 12 15 16 16 16 16 16 16 16 16 16 16 16 
1 4 8 12 15 16 16 16 16 16 16 16 16 16 16 16

loop_
_iza_sc_VertexSymbols
4.4.4.4.8.0
4.4.4.4.8.0

loop_
_iza_sc_Systre_edges
ATOM 1 4 0.086510 0.296938 0.416035
EDGE 1 0.086510 0.296938 1.416035
EDGE 1 -0.086510 0.296938 0.583965
EDGE 1 0.218449 0.132548 0.287350
EDGE 1 0.086510 0.296938 -0.583965
ATOM 2 4 0.218449 0.132548 0.287350
EDGE 2 0.218449 0.132548 1.287350
EDGE 2 0.218449 -0.132548 0.287350
EDGE 2 0.086510 0.296938 0.416035
EDGE 2 0.218449 0.132548 -0.712650

#MMJT_TO_anneal_parms 22 18.210735416 12.133668633 2.774398232 1.421280770 0.086510256 0.296937697 0.416035022 0.218449421 0.132548434 0.287349536 0.103418302 0.364556227 0.899232288 0.260785584 0.136162904 0.185933202 0.367486845 0.260409168 0.168934651 -0.253757680 0.209579213 0.296152604 0.093442256
# Graph Descriptor
# 10
# 2
# 0 0 
# 5
# 0 1 0
# 0 4 0
# 0 0 1
# 1 1 1
# 1 21 1

Viewer

10L_2_411

CIF file

CGD file