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10L_2_10851

Structure Data

Name

10L_2_10851

Type Code

n/a

Spacegroup

P 2/m

Energy (eV/TO₂)

0.85

FD (T/1000 Å³)

21.819

UC volume (Å³)

274.991

avg. TD₁₀

248

Lattice Parameters

7.422

10.137

5.682

90.000

40.039

90.000

Topological Data

CS and VS

CS T1	1 4 10 14 16 22 30 32 32 40 50 50 48 58 70 68
VS T1	3.6_{2}.6.6.6.6
CS T2	1 4 8 13 20 23 24 31 40 41 40 49 60 59 56 67
VS T2	3.6.4.6.4.6

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_10L_2_10851_2D_bgbmin.cif
# energy = 0.847316
#FD = 21.82 T-atoms/1000 Angstroms^3

_cell_length_a           7.4221
_cell_length_b           10.1366
_cell_length_c           5.6817
_cell_angle_alpha        90.0000
_cell_angle_beta         40.0391
_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 0.10950 0.34958 0.14047
O O_11_1 0.00000 0.28060 1.00000
O O_11_2 0.00000 0.28064 0.50000
O O_11_3 -0.00487 0.50000 0.25480
O O_12_1 0.45349 0.36068 0.79647
Si Si2 0.37503 0.50000 0.37503
O O_22_1 0.50000 0.50000 1.00000
O O_22_2 0.50000 0.50000 0.50000

_iza_sc_Energy_eV_TO2 = 0.847316

_iza_sc_FrameworkDensity = 21.819074

_iza_sc_avgTD10 = 247.000

loop_
_iza_sc_CoordinationSequence
1 4 8 13 20 23 24 31 40 41 40 49 60 59 56 67 
1 4 10 14 16 22 30 32 32 40 50 50 48 58 70 68

loop_
_iza_sc_VertexSymbols
3.6.4.6.4.6
3.6_{2}.6.6.6.6

loop_
_iza_sc_Systre_edges
ATOM 1 4 0.109501 0.349577 0.140466
EDGE 1 -0.109501 0.349577 -0.140466
EDGE 1 -0.109501 0.349577 0.859534
EDGE 1 0.109501 0.650423 0.140466
EDGE 1 0.624969 0.500000 -0.375035
ATOM 2 4 0.375031 0.500000 0.375035
EDGE 2 0.624969 0.500000 -0.375035
EDGE 2 0.624969 0.500000 0.624965
EDGE 2 0.890499 0.349577 -0.140466
EDGE 2 0.890499 0.650423 -0.140466

#MMJT_TO_anneal_parms 16 7.422116721 10.136566724 5.681672693 0.698813377 0.109501120 0.349576717 0.140466352 0.375030639 0.375034734 0.280596481 0.280644813 -0.004868688 0.254795221 0.453490133 0.360680396 0.796469423 0.847315839
# Graph Descriptor
# 10
# 2
# 0 20 
# 6
# 0 3 0
# 0 4 0
# 0 24 0
# 0 6 1
# 1 6 1
# 1 7 1

Viewer

10L_2_10851

CIF file

CGD file