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53L_1_7

Structure Data

Name

53L_1_7

Type Code

n/a

Spacegroup

P m n a

Energy (eV/TO₂)

0.10

FD (T/1000 Å³)

7.832

UC volume (Å³)

1021.402

avg. TD₁₀

Lattice Parameters

15.181

2.774

24.253

90.000

Topological Data

CS and VS

CS T1	1 4 7 8 8 8 8 8 8 8 8 8 8 8 8 8
VS T1	4.4.4.4.4.0

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_53L_1_7_1D_bgbmin.cif
# energy = 0.095806
#FD = 7.83 T-atoms/1000 Angstroms^3

_cell_length_a           15.1810
_cell_length_b           2.7741
_cell_length_c           24.2535
_cell_angle_alpha        90.0000
_cell_angle_beta         90.0000
_cell_angle_gamma        90.0000
_symmetry_space_group_name_H-M  'P m n a'
_symmetry_Int_Tables_number 53

loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Si Si1 0.10634 0.00001 0.06247
O O_11_1 0.13813 -0.49991 0.09263
O O_11_2 0.14419 1.00000 0.00000
O O_11_3 0.00000 -0.00017 0.05958

_iza_sc_Energy_eV_TO2 = 0.095806

_iza_sc_FrameworkDensity = 7.832397

_iza_sc_avgTD10 = 76.000

loop_
_iza_sc_CoordinationSequence
1 4 7 8 8 8 8 8 8 8 8 8 8 8 8 8

loop_
_iza_sc_VertexSymbols
4.4.4.4.4.0

loop_
_iza_sc_Systre_edges
ATOM 1 4 0.106343 0.000005 0.062466
EDGE 1 0.106343 1.000005 0.062466
EDGE 1 0.106343 -0.000005 -0.062466
EDGE 1 -0.106343 0.000005 0.062466
EDGE 1 0.106343 -0.999995 0.062466

#MMJT_TO_anneal_parms 12 15.180995518 2.774087085 24.253531067 0.106342949 0.000005299 0.062466153 0.138125369 -0.499908273 0.092625795 0.144193556 -0.000170985 0.059578547 0.095806097
# Graph Descriptor
# 53
# 1
# 0 
# 3
# 0 1 0
# 0 6 0
# 0 21 0

Viewer

53L_1_7

CIF file

CGD file