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25L_1_2

Structure Data

Name

25L_1_2

Type Code

n/a

Spacegroup

P m m 2

Energy (eV/TO₂)

0.10

FD (T/1000 Å³)

16.291

UC volume (Å³)

245.540

avg. TD₁₀

Lattice Parameters

9.148

9.688

2.770

90.000

Topological Data

CS and VS

CS T1	1 4 7 8 8 8 8 8 8 8 8 8 8 8 8 8
VS T1	4.4.4.4.4.0

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_25L_1_2_1D_bgbmin.cif
# energy = 0.095818
#FD = 16.29 T-atoms/1000 Angstroms^3

_cell_length_a           9.1483
_cell_length_b           9.6881
_cell_length_c           2.7704
_cell_angle_alpha        90.0000
_cell_angle_beta         90.0000
_cell_angle_gamma        90.0000
_symmetry_space_group_name_H-M  'P m m 2'
_symmetry_Int_Tables_number 25

loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Si Si1 0.16523 0.16660 0.00000
O O_11_1 0.24534 0.21622 0.49963
O O_11_2 0.15605 0.00000 -0.00035
O O_11_3 0.00000 0.22671 -0.00135

_iza_sc_Energy_eV_TO2 = 0.095818

_iza_sc_FrameworkDensity = 16.290755

_iza_sc_avgTD10 = 76.000

loop_
_iza_sc_CoordinationSequence
1 4 7 8 8 8 8 8 8 8 8 8 8 8 8 8

loop_
_iza_sc_VertexSymbols
4.4.4.4.4.0

loop_
_iza_sc_Systre_edges
ATOM 1 4 0.165232 0.166603 0.000000
EDGE 1 0.165232 0.166603 1.000000
EDGE 1 0.165232 -0.166603 0.000000
EDGE 1 -0.165232 0.166603 0.000000
EDGE 1 0.165232 0.166603 -1.000000

#MMJT_TO_anneal_parms 12 9.148325042 9.688052054 2.770388917 0.165232099 0.166602799 0.245337075 0.216221342 0.499634151 0.156046422 -0.000350279 0.226710158 -0.001348904 0.095818324
# Graph Descriptor
# 25
# 1
# 0 
# 3
# 0 1 0
# 0 15 0
# 0 21 0

Viewer

25L_1_2

CIF file

CGD file