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57L_1_30

Structure Data

Name

57L_1_30

Type Code

n/a

Spacegroup

P b c m

Energy (eV/TO₂)

0.04

FD (T/1000 Å³)

15.195

UC volume (Å³)

526.491

avg. TD₁₀

312

Lattice Parameters

11.360

5.378

8.618

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_57L_1_30_2D_bgbmin.cif
# energy = 0.035629
#FD = 15.19 T-atoms/1000 Angstroms^3

_cell_length_a           11.3599
_cell_length_b           5.3778
_cell_length_c           8.6181
_cell_angle_alpha        90.0000
_cell_angle_beta         90.0000
_cell_angle_gamma        90.0000
_symmetry_space_group_name_H-M  'P b c m'
_symmetry_Int_Tables_number 57

loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Si Si1 0.13412 0.50000 0.06254
O O_11_1 0.19966 0.25000 0.00000
O O_11_2 0.19965 0.75000 0.00000
O O_11_3 0.00000 0.00000 0.00000
O O_11_4 0.13385 0.50000 0.25000

_iza_sc_Energy_eV_TO2 = 0.035629

_iza_sc_FrameworkDensity = 15.194729

_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 0.134122 0.499995 0.062544
EDGE 1 0.134122 0.000005 -0.062544
EDGE 1 0.134122 1.000005 -0.062544
EDGE 1 -0.134122 0.500005 -0.062544
EDGE 1 0.134122 0.499995 0.437456

#MMJT_TO_anneal_parms 10 11.359937977 5.377844490 8.618125929 0.134122158 0.499995120 0.062544294 0.199658986 0.199654063 0.133852419 0.500004321 0.035629398
# Graph Descriptor
# 57
# 1
# 0 
# 4
# 0 7 0
# 0 8 0
# 0 10 0
# 0 15 0

Viewer

57L_1_30

CIF file

CGD file