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12L_1_48

Structure Data

Name

12L_1_48

Type Code

n/a

Spacegroup

C 2/m

Energy (eV/TO₂)

0.04

FD (T/1000 Å³)

9.663

UC volume (Å³)

827.940

avg. TD₁₀

312

Lattice Parameters

8.618

35.728

5.079

90.000

148.035

90.000

Topological Data

CS and VS

CS T1	1 4 10 16 22 28 34 40 46 52 58 64 70 76 82 88
VS T1	4.6_{3}.4.6_{3}.6.6_{4}

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_12L_1_48_2D_bgbmin.cif
# energy = 0.035629
#FD = 9.66 T-atoms/1000 Angstroms^3

_cell_length_a           8.6180
_cell_length_b           35.7282
_cell_length_c           5.0792
_cell_angle_alpha        90.0000
_cell_angle_beta         148.0349
_cell_angle_gamma        90.0000
_symmetry_space_group_name_H-M  'C 2/m'
_symmetry_Int_Tables_number 12

loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Si Si1 0.18745 0.20736 0.49999
O O_11_1 0.00000 0.18652 1.00000
O O_11_2 0.00000 0.20744 0.50000
O O_11_3 0.50000 0.18652 1.00000
O O_11_4 0.25000 0.25000 0.50000

_iza_sc_Energy_eV_TO2 = 0.035629

_iza_sc_FrameworkDensity = 9.662595

_iza_sc_avgTD10 = 311.000

loop_
_iza_sc_CoordinationSequence
1 4 10 16 22 28 34 40 46 52 58 64 70 76 82 88

loop_
_iza_sc_VertexSymbols
4.6_{3}.4.6_{3}.6.6_{4}

loop_
_iza_sc_Systre_edges
ATOM 1 4 0.187453 0.207355 0.499994
EDGE 1 -0.187453 0.207355 -0.499994
EDGE 1 -0.187453 0.207355 0.500006
EDGE 1 0.812547 0.207355 1.500006
EDGE 1 0.312547 0.292645 0.500006

#MMJT_TO_anneal_parms 10 8.618016013 35.728241649 5.079150474 2.583696212 0.187453429 0.207355453 0.499993605 0.186518480 0.207440983 0.186518426 0.035628516
# Graph Descriptor
# 12
# 1
# 0 
# 4
# 0 3 0
# 0 4 0
# 0 8 0
# 0 16 0

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12L_1_48

CIF file

CGD file