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10L_2_10

Structure Data

Name

10L_2_10

Type Code

n/a

Spacegroup

P 2/m

Energy (eV/TO₂)

0.93

FD (T/1000 Å³)

8.222

UC volume (Å³)

972.970

avg. TD₁₀

425

Lattice Parameters

5.625

57.598

3.080

90.000

102.863

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_10_2D_bgbmin.cif
# energy = 0.934950
#FD = 8.22 T-atoms/1000 Angstroms^3

_cell_length_a           5.6248
_cell_length_b           57.5981
_cell_length_c           3.0805
_cell_angle_alpha        90.0000
_cell_angle_beta         102.8627
_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 0.27128 0.16257 0.13876
O O_11_1 0.31307 0.15078 0.66116
O O_11_2 0.00000 0.15848 1.00000
O O_12_1 0.29239 0.19048 0.12559
Si Si2 0.22371 0.21642 0.27310
O O_22_1 0.00000 0.23294 1.00000
O O_22_2 0.00000 0.21037 0.50000
O O_22_3 0.50000 0.22877 0.50000

_iza_sc_Energy_eV_TO2 = 0.934950

_iza_sc_FrameworkDensity = 8.222249

_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 0.271282 0.162569 0.138765
EDGE 1 0.271282 0.162569 1.138765
EDGE 1 -0.271282 0.162569 -0.138765
EDGE 1 0.223707 0.216419 0.273103
EDGE 1 0.271282 0.162569 -0.861235
ATOM 2 4 0.223707 0.216419 0.273103
EDGE 2 -0.223707 0.216419 -0.273103
EDGE 2 -0.223707 0.216419 0.726897
EDGE 2 0.776293 0.216419 0.726897
EDGE 2 0.271282 0.162569 0.138765

#MMJT_TO_anneal_parms 20 5.624801406 57.598078986 3.080500988 1.795293450 0.271281787 0.162568553 0.138764972 0.223706821 0.216418504 0.273102932 0.313071957 0.150778179 0.661163277 0.158478722 0.292394548 0.190482947 0.125589049 0.232944079 0.210371750 0.228767494 0.934949690
# Graph Descriptor
# 10
# 2
# 0 0 
# 6
# 0 1 0
# 0 3 0
# 0 0 1
# 1 3 1
# 1 4 1
# 1 7 1

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10L_2_10

CIF file

CGD file