Viewer

10L_2_92

Structure Data

Name

10L_2_92

Type Code

n/a

Spacegroup

P 2/m

Energy (eV/TO₂)

0.33

FD (T/1000 Å³)

10.445

UC volume (Å³)

765.926

avg. TD₁₀

Lattice Parameters

11.586

25.810

2.737

90.000

110.614

90.000

Topological Data

CS and VS

CS T1	1 4 8 8 8 8 8 8 8 8 8 8 8 8 8 8
VS T1	4.4.4.4.5_{3}.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_92_1D_bgbmin.cif
# energy = 0.328069
#FD = 10.44 T-atoms/1000 Angstroms^3

_cell_length_a           11.5859
_cell_length_b           25.8096
_cell_length_c           2.7366
_cell_angle_alpha        90.0000
_cell_angle_beta         110.6136
_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 0.14617 0.23027 0.09324
O O_11_1 0.18933 0.20067 0.65760
O O_11_2 0.00000 0.23534 1.00000
O O_12_1 0.20193 0.28753 1.05118
Si Si2 0.14610 0.34476 0.84280
O O_22_1 0.18925 0.37436 0.40708
O O_22_2 0.00000 0.33963 0.50000

_iza_sc_Energy_eV_TO2 = 0.328069

_iza_sc_FrameworkDensity = 10.444997

_iza_sc_avgTD10 = 77.000

loop_
_iza_sc_CoordinationSequence
1 4 8 8 8 8 8 8 8 8 8 8 8 8 8 8 
1 4 8 8 8 8 8 8 8 8 8 8 8 8 8 8

loop_
_iza_sc_VertexSymbols
4.4.4.4.5_{3}.0
4.4.4.4.5_{3}.0

loop_
_iza_sc_Systre_edges
ATOM 1 4 0.146170 0.230269 0.093243
EDGE 1 0.146170 0.230269 1.093243
EDGE 1 -0.146170 0.230269 -0.093243
EDGE 1 0.146103 0.344762 -0.157198
EDGE 1 0.146170 0.230269 -0.906757
ATOM 2 4 0.146103 0.344762 0.842802
EDGE 2 0.146103 0.344762 1.842802
EDGE 2 -0.146103 0.344762 0.157198
EDGE 2 0.146170 0.230269 1.093243
EDGE 2 0.146103 0.344762 -0.157198

#MMJT_TO_anneal_parms 21 11.585868549 25.809631354 2.736570432 1.930572009 0.146169934 0.230268836 0.093242788 0.146102867 0.344762409 0.842802125 0.189331396 0.200671462 0.657599007 0.235338321 0.201926529 0.287527696 1.051180641 0.189246400 0.374357935 0.407084016 0.339628521 0.328069207
# Graph Descriptor
# 10
# 2
# 0 0 
# 5
# 0 1 0
# 0 3 0
# 0 2 1
# 1 1 1
# 1 4 1

Viewer

10L_2_92

CIF file

CGD file