Viewer

2L_2_56169

Structure Data

Name

2L_2_56169

Type Code

n/a

Spacegroup

P -1

Energy (eV/TO₂)

0.77

FD (T/1000 Å³)

32.652

UC volume (Å³)

122.505

avg. TD₁₀

565

Lattice Parameters

10.736

9.526

2.929

96.353

104.941

147.171

Topological Data

CS and VS

CS T1	1 4 12 27 40 50 62 74 86 98 110 122 134 146 158 170
VS T1	6.6.6.6_{2}.6_{2}.6_{2}

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_2L_2_56169_2D_bgbmin.cif
# energy = 0.774698
#FD = 32.65 T-atoms/1000 Angstroms^3

_cell_length_a           10.7356
_cell_length_b           9.5263
_cell_length_c           2.9290
_cell_angle_alpha        96.3526
_cell_angle_beta         104.9408
_cell_angle_gamma        147.1711
_symmetry_space_group_name_H-M  'P -1'
_symmetry_Int_Tables_number 2

loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Si Si1 0.24034 0.06507 0.09903
O O_11_1 0.23975 0.15151 0.62906
O O_12_1 0.03420 1.31236 0.40814
O O_12_2 0.52122 0.24300 0.54730
Si Si2 0.25325 0.65299 0.96796
O O_22_1 0.00000 0.50000 1.00000
O O_22_2 0.50000 1.00000 1.00000

_iza_sc_Energy_eV_TO2 = 0.774698

_iza_sc_FrameworkDensity = 32.651992

_iza_sc_avgTD10 = 564.000

loop_
_iza_sc_CoordinationSequence
1 4 12 27 40 50 62 74 86 98 110 122 134 146 158 170 
1 4 12 27 40 50 62 74 86 98 110 122 134 146 158 170

loop_
_iza_sc_VertexSymbols
6.6.6.6_{2}.6_{2}.6_{2}
6.6.6.6_{2}.6_{2}.6_{2}

loop_
_iza_sc_Systre_edges
ATOM 1 4 0.240343 0.065074 0.099027
EDGE 1 0.240343 0.065074 1.099027
EDGE 1 -0.253247 -0.652994 -0.967956
EDGE 1 0.746753 0.347006 1.032044
EDGE 1 0.240343 0.065074 -0.900973
ATOM 2 4 0.253247 0.652994 0.967956
EDGE 2 -0.253247 0.347006 1.032044
EDGE 2 0.746753 1.347006 1.032044
EDGE 2 -0.240343 -0.065074 -0.099027
EDGE 2 0.759657 0.934926 1.900973

#MMJT_TO_anneal_parms 21 10.735630194 9.526258481 2.928990395 1.681670828 1.831562551 2.568621009 0.240342521 0.065074238 0.099026587 0.253246747 0.652993968 0.967955583 0.239753640 0.151514707 0.629061621 0.034201060 1.312355980 0.408139047 0.521216545 0.243001424 0.547301909 0.774697679
# Graph Descriptor
# 2
# 2
# 0 0 
# 5
# 0 1 0
# 0 9 1
# 0 23 1
# 1 14 1
# 1 26 1

Viewer

2L_2_56169

CIF file

CGD file