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175L_1_10

Structure Data

Name

175L_1_10

Type Code

n/a

Spacegroup

175

P 6/m

Energy (eV/TO₂)

0.10

FD (T/1000 Å³)

9.723

UC volume (Å³)

1234.175

avg. TD₁₀

109

Lattice Parameters

16.081

5.511

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_10_1D_bgbmin.cif
# energy = 0.097697
#FD = 9.72 T-atoms/1000 Angstroms^3

_cell_length_a           16.0811
_cell_length_b           16.0811
_cell_length_c           5.5108
_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 0.21441 0.03510 0.24999
O O_11_1 0.11705 -0.06766 0.25000
O O_11_2 0.27383 0.04482 0.00000
O O_11_3 0.27383 0.04482 0.50000

_iza_sc_Energy_eV_TO2 = 0.097697

_iza_sc_FrameworkDensity = 9.723095

_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 0.214412 0.035096 0.249992
EDGE 1 0.035096 -0.179316 0.249992
EDGE 1 0.214412 0.035096 -0.249992
EDGE 1 0.214412 0.035096 0.750008
EDGE 1 0.179316 0.214412 0.249992

#MMJT_TO_anneal_parms 12 16.081125150 5.510781686 0.214412243 0.035096165 0.249992279 0.117046969 -0.067656398 0.249997779 0.273833905 0.044820989 0.273827358 0.044823392 0.097696608
# Graph Descriptor
# 175
# 1
# 0 
# 3
# 0 8 0
# 0 20 0
# 0 21 0

Viewer

175L_1_10

CIF file

CGD file