Viewer

175L_1_14

Structure Data

Name

175L_1_14

Type Code

n/a

Spacegroup

175

P 6/m

Energy (eV/TO₂)

0.12

FD (T/1000 Å³)

19.868

UC volume (Å³)

301.986

avg. TD₁₀

109

Lattice Parameters

11.185

2.787

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_175L_1_14_1D_bgbmin.cif
# energy = 0.124555
#FD = 19.87 T-atoms/1000 Angstroms^3

_cell_length_a           11.1850
_cell_length_b           11.1850
_cell_length_c           2.7873
_cell_angle_alpha        90.0000
_cell_angle_beta         90.0000
_cell_angle_gamma        120.0000
_symmetry_space_group_name_H-M  'P 6/m'
_symmetry_Int_Tables_number 175

loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Si Si1 0.32662 0.20766 0.50000
O O_11_1 0.25021 0.04154 0.50000
O O_11_2 0.41541 0.26412 0.00000

_iza_sc_Energy_eV_TO2 = 0.124555

_iza_sc_FrameworkDensity = 19.868146

_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 0.326618 0.207663 0.500000
EDGE 1 0.207663 -0.118955 0.500000
EDGE 1 0.326618 0.207663 -0.500000
EDGE 1 0.118955 0.326618 0.500000
EDGE 1 0.326618 0.207663 1.500000

#MMJT_TO_anneal_parms 8 11.185046915 2.787325307 0.326617870 0.207663015 0.250207399 0.041541764 0.415414684 0.264120788 0.124554714
# Graph Descriptor
# 175
# 1
# 12 
# 2
# 0 8 0
# 0 20 0

Viewer

175L_1_14

CIF file

CGD file