Viewer

156L_1_1

Structure Data

Name

156L_1_1

Type Code

n/a

Spacegroup

156

P 3 m 1

Energy (eV/TO₂)

0.09

FD (T/1000 Å³)

18.249

UC volume (Å³)

328.787

avg. TD₁₀

109

Lattice Parameters

11.700

2.773

90.000

120.000

Topological Data

CS and VS

CS T1	1 4 8 11 12 12 12 12 12 12 12 12 12 12 12 12
VS T1	4.4.4.4.6.0

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_156L_1_1_1D_bgbmin.cif
# energy = 0.091511
#FD = 18.25 T-atoms/1000 Angstroms^3

_cell_length_a           11.7000
_cell_length_b           11.7000
_cell_length_c           2.7734
_cell_angle_alpha        90.0000
_cell_angle_beta         90.0000
_cell_angle_gamma        120.0000
_symmetry_space_group_name_H-M  'P 3 m 1'
_symmetry_Int_Tables_number 156

loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Si Si1 0.33878 0.40837 0.00000
O O_11_1 0.36654 0.35129 0.50000
O O_11_2 0.43221 0.56779 0.00011
O O_11_3 0.18599 0.37199 -0.00008

_iza_sc_Energy_eV_TO2 = 0.091511

_iza_sc_FrameworkDensity = 18.248999

_iza_sc_avgTD10 = 108.000

loop_
_iza_sc_CoordinationSequence
1 4 8 11 12 12 12 12 12 12 12 12 12 12 12 12

loop_
_iza_sc_VertexSymbols
4.4.4.4.6.0

loop_
_iza_sc_Systre_edges
ATOM 1 4 0.338782 0.408368 0.000000
EDGE 1 0.338782 0.408368 1.000000
EDGE 1 0.591632 0.661218 0.000000
EDGE 1 0.069585 0.408368 0.000000
EDGE 1 0.338782 0.408368 -1.000000

#MMJT_TO_anneal_parms 11 11.699996069 2.773384853 0.338782320 0.408367735 0.366544184 0.351293893 0.499995014 0.567792806 0.000114335 0.371989956 -0.000084988 0.091511280
# Graph Descriptor
# 156
# 1
# 0 
# 3
# 0 1 0
# 0 24 0
# 0 27 0

Viewer

156L_1_1

CIF file

CGD file