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38L_1_2

Structure Data

Name

38L_1_2

Type Code

n/a

Spacegroup

A m m 2

Energy (eV/TO₂)

0.01

FD (T/1000 Å³)

13.217

UC volume (Å³)

605.266

avg. TD₁₀

303

Lattice Parameters

12.701

9.084

5.246

90.000

Topological Data

CS and VS

CS T1	1 4 9 15 21 27 33 39 45 51 57 63 69 75 81 87
VS T1	4.6.4.6.4.6

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_38L_1_2_2D_bgbmin.cif
# energy = 0.009796
#FD = 13.22 T-atoms/1000 Angstroms^3

_cell_length_a           12.7015
_cell_length_b           9.0844
_cell_length_c           5.2456
_cell_angle_alpha        90.0000
_cell_angle_beta         90.0000
_cell_angle_gamma        90.0000
_symmetry_space_group_name_H-M  'A m m 2'
_symmetry_Int_Tables_number 38

loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Si Si1 0.12720 0.16677 0.00000
O O_11_1 0.16953 0.50000 0.54016
O O_11_2 0.16982 0.27003 0.23002
O O_11_3 0.00000 0.16720 -0.00049

_iza_sc_Energy_eV_TO2 = 0.009796

_iza_sc_FrameworkDensity = 13.217404

_iza_sc_avgTD10 = 302.000

loop_
_iza_sc_CoordinationSequence
1 4 9 15 21 27 33 39 45 51 57 63 69 75 81 87

loop_
_iza_sc_VertexSymbols
4.6.4.6.4.6

loop_
_iza_sc_Systre_edges
ATOM 1 4 0.127200 0.166769 0.000000
EDGE 1 0.127200 -0.166769 0.000000
EDGE 1 0.127200 0.333231 0.500000
EDGE 1 -0.127200 0.166769 0.000000
EDGE 1 0.127200 0.333231 -0.500000

#MMJT_TO_anneal_parms 12 12.701467005 9.084410911 5.245575966 0.127199548 0.166769320 0.169531098 0.540164911 0.169824957 0.270033397 0.230024879 0.167196043 -0.000485458 0.009796365
# Graph Descriptor
# 38
# 1
# 0 
# 3
# 0 13 0
# 0 15 0
# 0 17 0

Viewer

38L_1_2

CIF file

CGD file