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13L_1_15

Structure Data

Name

13L_1_15

Type Code

sql

Spacegroup

P 2/c

Energy (eV/TO₂)

0.98

FD (T/1000 Å³)

3.152

UC volume (Å³)

1268.974

avg. TD₁₀

222

Lattice Parameters

4.917

2.603

99.434

90.000

85.826

90.000

Topological Data

CS and VS

CS T1	1 4 8 12 16 20 24 28 32 36 40 44 48 52 56 60
VS T1	4.4.4.4.0.0

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_13L_1_15_2D_bgbmin.cif
# energy = 0.975439
#FD = 3.15 T-atoms/1000 Angstroms^3

_cell_length_a           4.9166
_cell_length_b           2.6026
_cell_length_c           99.4337
_cell_angle_alpha        90.0000
_cell_angle_beta         85.8263
_cell_angle_gamma        90.0000
_symmetry_space_group_name_H-M  'P 2/c'
_symmetry_Int_Tables_number 13

loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Si Si1 0.23664 0.25001 0.00907
O O_11_1 0.22228 -0.25000 0.01882
O O_11_2 0.00000 1.00000 0.50000
O O_11_3 0.50000 0.50000 0.50000

_iza_sc_Energy_eV_TO2 = 0.975439

_iza_sc_FrameworkDensity = 3.152113

_iza_sc_avgTD10 = 221.000

loop_
_iza_sc_CoordinationSequence
1 4 8 12 16 20 24 28 32 36 40 44 48 52 56 60

loop_
_iza_sc_VertexSymbols
4.4.4.4.0.0

loop_
_iza_sc_Systre_edges
ATOM 1 4 0.236640 0.250008 0.009075
EDGE 1 0.236640 1.250008 0.009075
EDGE 1 -0.236640 -0.250008 -0.009075
EDGE 1 0.763360 0.749992 -0.009075
EDGE 1 0.236640 -0.749992 0.009075

#MMJT_TO_anneal_parms 10 4.916586673 2.602641189 99.433685545 1.497950966 0.236640179 0.250008442 0.009074596 0.222282269 -0.250002402 0.018815176 0.975438799
# Graph Descriptor
# 13
# 1
# 0 
# 3
# 0 1 0
# 0 9 0
# 0 17 0

Viewer

13L_1_15

CIF file

CGD file