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10L_1_22

Structure Data

Name

10L_1_22

Type Code

n/a

Spacegroup

P 2/m

Energy (eV/TO₂)

0.01

FD (T/1000 Å³)

9.853

UC volume (Å³)

405.946

avg. TD₁₀

303

Lattice Parameters

9.162

16.752

5.290

90.000

150.000

90.000

Topological Data

CS and VS

CS T1	1 4 9 15 21 27 33 39 45 51 57 63 69 75 81 87
VS T1	4.6.4.6.4.6

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_1_22_2D_bgbmin.cif
# energy = 0.010191
#FD = 9.85 T-atoms/1000 Angstroms^3

_cell_length_a           9.1622
_cell_length_b           16.7515
_cell_length_c           5.2898
_cell_angle_alpha        90.0000
_cell_angle_beta         149.9996
_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 0.16667 0.09644 0.50001
O O_11_1 0.00000 0.12884 1.00000
O O_11_2 0.00000 0.12884 0.50000
O O_11_3 0.50000 0.12885 1.00000
O O_11_4 0.16669 0.00000 0.50003

_iza_sc_Energy_eV_TO2 = 0.010191

_iza_sc_FrameworkDensity = 9.853448

_iza_sc_avgTD10 = 302.000

loop_
_iza_sc_CoordinationSequence
1 4 9 15 21 27 33 39 45 51 57 63 69 75 81 87

loop_
_iza_sc_VertexSymbols
4.6.4.6.4.6

loop_
_iza_sc_Systre_edges
ATOM 1 4 0.166674 0.096440 0.500010
EDGE 1 -0.166674 0.096440 -0.500010
EDGE 1 -0.166674 0.096440 0.499990
EDGE 1 0.833326 0.096440 1.499990
EDGE 1 0.166674 -0.096440 0.500010

#MMJT_TO_anneal_parms 12 9.162239547 16.751533233 5.289819070 2.617987594 0.166673693 0.096440416 0.500009809 0.128842839 0.128840495 0.128846430 0.166688296 0.500030322 0.010191312
# Graph Descriptor
# 10
# 1
# 0 
# 4
# 0 3 0
# 0 4 0
# 0 8 0
# 0 21 0

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10L_1_22

CIF file

CGD file