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156L_1_2

Structure Data

Name

156L_1_2

Type Code

n/a

Spacegroup

156

P 3 m 1

Energy (eV/TO₂)

0.09

FD (T/1000 Å³)

15.738

UC volume (Å³)

381.243

avg. TD₁₀

109

Lattice Parameters

12.600

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_2_1D_bgbmin.cif
# energy = 0.091505
#FD = 15.74 T-atoms/1000 Angstroms^3

_cell_length_a           12.6004
_cell_length_b           12.6004
_cell_length_c           2.7727
_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 0.24457 0.23943 0.00000
O O_11_1 0.32345 0.29210 0.50001
O O_11_2 0.13695 0.27390 -0.00002
O O_11_3 0.18273 0.09137 -0.00005

_iza_sc_Energy_eV_TO2 = 0.091505

_iza_sc_FrameworkDensity = 15.738070

_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 0.244567 0.239425 0.000000
EDGE 1 0.244567 0.239425 1.000000
EDGE 1 -0.005142 0.239425 0.000000
EDGE 1 0.244567 0.005142 0.000000
EDGE 1 0.244567 0.239425 -1.000000

#MMJT_TO_anneal_parms 11 12.600427897 2.772672320 0.244567199 0.239425133 0.323447304 0.292101448 0.500013176 0.273896083 -0.000016543 0.091365089 -0.000049326 0.091504715
# Graph Descriptor
# 156
# 1
# 0 
# 3
# 0 1 0
# 0 27 0
# 0 33 0

Viewer

156L_1_2

CIF file

CGD file