Viewer

164L_1_12

Structure Data

Name

164L_1_12

Type Code

n/a

Spacegroup

164

P -3 m 1

Energy (eV/TO₂)

0.09

FD (T/1000 Å³)

17.917

UC volume (Å³)

669.760

avg. TD₁₀

181

Lattice Parameters

16.699

2.773

90.000

120.000

Topological Data

CS and VS

CS T1	1 4 8 12 16 20 23 24 24 24 24 24 24 24 24 24
VS T1	4.4.4.4.12.0

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_164L_1_12_1D_bgbmin.cif
# energy = 0.087280
#FD = 17.92 T-atoms/1000 Angstroms^3

_cell_length_a           16.6986
_cell_length_b           16.6986
_cell_length_c           2.7735
_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 164

loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Si Si1 0.39094 0.10477 0.99998
O O_11_1 0.44945 0.12048 1.49999
O O_11_2 0.30405 0.00000 1.00000
O O_11_3 0.35097 0.17548 0.99991

_iza_sc_Energy_eV_TO2 = 0.087280

_iza_sc_FrameworkDensity = 17.916602

_iza_sc_avgTD10 = 180.000

loop_
_iza_sc_CoordinationSequence
1 4 8 12 16 20 23 24 24 24 24 24 24 24 24 24

loop_
_iza_sc_VertexSymbols
4.4.4.4.12.0

loop_
_iza_sc_Systre_edges
ATOM 1 4 0.390941 0.104773 0.999983
EDGE 1 0.390941 0.104773 1.999983
EDGE 1 0.286168 -0.104773 1.000017
EDGE 1 0.390941 0.286168 0.999983
EDGE 1 0.390941 0.104773 -0.000017

#MMJT_TO_anneal_parms 11 16.698612333 2.773538473 0.390941353 0.104773393 0.999983007 0.449446490 0.120482860 1.499988642 0.304045842 0.175484908 0.999905433 0.087280424
# Graph Descriptor
# 164
# 1
# 0 
# 3
# 0 1 0
# 0 20 0
# 0 48 0

Viewer

164L_1_12

CIF file

CGD file