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10L_2_115

Structure Data

Name

10L_2_115

Type Code

n/a

Spacegroup

P 2/m

Energy (eV/TO₂)

0.96

FD (T/1000 Å³)

19.437

UC volume (Å³)

411.578

avg. TD₁₀

425

Lattice Parameters

5.801

24.203

3.091

90.000

108.451

90.000

Topological Data

CS and VS

CS T1	1 4 9 15 25 35 45 55 65 75 85 95 105 115 125 135
VS T1	4.5.4.5_{2}.4.0
CS T2	1 4 11 19 27 37 47 57 67 77 87 97 107 117 127 137
VS T2	4.6.5.0.5_{3}.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_10L_2_115_2D_bgbmin.cif
# energy = 0.958836
#FD = 19.44 T-atoms/1000 Angstroms^3

_cell_length_a           5.8005
_cell_length_b           24.2034
_cell_length_c           3.0905
_cell_angle_alpha        90.0000
_cell_angle_beta         108.4505
_cell_angle_gamma        90.0000
_symmetry_space_group_name_H-M  'P 2/m'
_symmetry_Int_Tables_number 10

loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Si Si1 0.26949 0.16502 0.12798
O O_11_1 0.31437 0.13740 0.65012
O O_11_2 0.00000 0.15363 1.00000
O O_12_1 0.28786 0.23152 1.15473
Si Si2 0.22399 0.29359 0.95055
O O_22_1 0.00000 0.28129 0.50000
O O_22_2 0.00000 0.33265 1.00000
O O_22_3 0.50000 0.32293 1.00000

_iza_sc_Energy_eV_TO2 = 0.958836

_iza_sc_FrameworkDensity = 19.437300

_iza_sc_avgTD10 = 424.000

loop_
_iza_sc_CoordinationSequence
1 4 9 15 25 35 45 55 65 75 85 95 105 115 125 135 
1 4 11 19 27 37 47 57 67 77 87 97 107 117 127 137

loop_
_iza_sc_VertexSymbols
4.5.4.5_{2}.4.0
4.6.5.0.5_{3}.6

loop_
_iza_sc_Systre_edges
ATOM 1 4 0.269492 0.165016 0.127976
EDGE 1 0.269492 0.165016 1.127976
EDGE 1 -0.269492 0.165016 -0.127976
EDGE 1 0.223985 0.293593 -0.049449
EDGE 1 0.269492 0.165016 -0.872024
ATOM 2 4 0.223985 0.293593 0.950551
EDGE 2 -0.223985 0.293593 0.049449
EDGE 2 -0.223985 0.293593 1.049449
EDGE 2 0.776015 0.293593 1.049449
EDGE 2 0.269492 0.165016 1.127976

#MMJT_TO_anneal_parms 20 5.800493572 24.203427417 3.090511406 1.892818700 0.269492291 0.165016226 0.127975688 0.223985291 0.293593456 0.950551331 0.314368212 0.137400138 0.650122433 0.153625414 0.287860515 0.231519435 1.154727905 0.281287010 0.332649158 0.322926137 0.958835898
# Graph Descriptor
# 10
# 2
# 0 0 
# 6
# 0 1 0
# 0 3 0
# 0 2 1
# 1 4 1
# 1 5 1
# 1 8 1

Viewer

10L_2_115

CIF file

CGD file