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10L_2_46

Structure Data

Name

10L_2_46

Type Code

n/a

Spacegroup

P 2/m

Energy (eV/TO₂)

0.99

FD (T/1000 Å³)

9.707

UC volume (Å³)

824.153

avg. TD₁₀

Lattice Parameters

15.274

22.507

2.618

90.000

113.668

90.000

Topological Data

CS and VS

CS T1	1 4 8 9 8 8 8 8 8 8 8 8 8 8 8 8
VS T1	4.4.4.4.6.6_{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_46_1D_bgbmin.cif
# energy = 0.987394
#FD = 9.71 T-atoms/1000 Angstroms^3

_cell_length_a           15.2736
_cell_length_b           22.5072
_cell_length_c           2.6176
_cell_angle_alpha        90.0000
_cell_angle_beta         113.6680
_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 0.10878 0.15001 0.50614
O O_11_1 0.14713 0.11452 1.09596
O O_11_2 0.00000 0.15222 1.00000
O O_12_1 0.14668 0.21382 0.84358
Si Si2 0.10877 0.27761 0.00372
O O_22_1 0.14704 0.31313 -0.40668
O O_22_2 0.00000 0.27533 1.00000

_iza_sc_Energy_eV_TO2 = 0.987394

_iza_sc_FrameworkDensity = 9.706794

_iza_sc_avgTD10 = 78.000

loop_
_iza_sc_CoordinationSequence
1 4 8 9 8 8 8 8 8 8 8 8 8 8 8 8 
1 4 8 9 8 8 8 8 8 8 8 8 8 8 8 8

loop_
_iza_sc_VertexSymbols
4.4.4.4.6.6_{6}
4.4.4.4.6.6_{6}

loop_
_iza_sc_Systre_edges
ATOM 1 4 0.108784 0.150008 0.506137
EDGE 1 0.108784 0.150008 1.506137
EDGE 1 -0.108784 0.150008 -0.506137
EDGE 1 0.108773 0.277608 1.003717
EDGE 1 0.108784 0.150008 -0.493863
ATOM 2 4 0.108773 0.277608 0.003717
EDGE 2 0.108773 0.277608 1.003717
EDGE 2 -0.108773 0.277608 -0.003717
EDGE 2 0.108784 0.150008 -0.493863
EDGE 2 0.108773 0.277608 -0.996283

#MMJT_TO_anneal_parms 21 15.273586316 22.507186353 2.617640247 1.983880288 0.108783649 0.150008342 0.506136595 0.108772551 0.277607917 0.003717110 0.147132106 0.114518994 1.095960486 0.152216558 0.146683678 0.213816193 0.843582019 0.147040178 0.313130191 -0.406677726 0.275328475 0.987394088
# Graph Descriptor
# 10
# 2
# 0 0 
# 5
# 0 1 0
# 0 3 0
# 0 1 1
# 1 1 1
# 1 3 1

Viewer

10L_2_46

CIF file

CGD file