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10L_2_93

Structure Data

Name

10L_2_93

Type Code

n/a

Spacegroup

P 2/m

Energy (eV/TO₂)

0.10

FD (T/1000 Å³)

13.280

UC volume (Å³)

602.390

avg. TD₁₀

Lattice Parameters

9.339

23.202

2.780

90.000

90.092

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_10L_2_93_1D_bgbmin.cif
# energy = 0.100932
#FD = 13.28 T-atoms/1000 Angstroms^3

_cell_length_a           9.3392
_cell_length_b           23.2019
_cell_length_c           2.7800
_cell_angle_alpha        90.0000
_cell_angle_beta         90.0916
_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 0.17292 0.13274 0.00200
O O_11_1 0.22497 0.10143 0.50231
O O_11_2 0.00000 0.13518 1.00000
O O_12_1 0.23348 0.19822 1.00137
Si Si2 0.17278 0.26369 0.99986
O O_22_1 0.22466 0.29505 0.50001
O O_22_2 0.00000 0.26110 1.00000

_iza_sc_Energy_eV_TO2 = 0.100932

_iza_sc_FrameworkDensity = 13.280429

_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 
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
4.4.4.4.4.0

loop_
_iza_sc_Systre_edges
ATOM 1 4 0.172916 0.132741 0.002001
EDGE 1 0.172916 0.132741 1.002001
EDGE 1 -0.172916 0.132741 -0.002001
EDGE 1 0.172777 0.263693 -0.000138
EDGE 1 0.172916 0.132741 -0.997999
ATOM 2 4 0.172777 0.263693 0.999862
EDGE 2 0.172777 0.263693 1.999862
EDGE 2 -0.172777 0.263693 1.000138
EDGE 2 0.172916 0.132741 1.002001
EDGE 2 0.172777 0.263693 -0.000138

#MMJT_TO_anneal_parms 21 9.339167594 23.201880982 2.780014580 1.572395107 0.172915590 0.132741008 0.002001164 0.172776974 0.263692553 0.999862395 0.224967135 0.101429958 0.502313731 0.135176953 0.233478270 0.198223759 1.001369606 0.224660863 0.295045124 0.500007875 0.261104048 0.100931564
# Graph Descriptor
# 10
# 2
# 0 0 
# 5
# 0 1 0
# 0 3 0
# 0 2 1
# 1 1 1
# 1 5 1

Viewer

10L_2_93

CIF file

CGD file