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127L_1_8

Structure Data

Name

127L_1_8

Type Code

n/a

Spacegroup

127

P 4/m b m

Energy (eV/TO₂)

0.07

FD (T/1000 Å³)

16.638

UC volume (Å³)

961.647

avg. TD₁₀

Lattice Parameters

13.255

5.474

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_127L_1_8_1D_bgbmin.cif
# energy = 0.066912
#FD = 16.64 T-atoms/1000 Angstroms^3

_cell_length_a           13.2545
_cell_length_b           13.2545
_cell_length_c           5.4738
_cell_angle_alpha        90.0000
_cell_angle_beta         90.0000
_cell_angle_gamma        90.0000
_symmetry_space_group_name_H-M  'P 4/m b m'
_symmetry_Int_Tables_number 127

loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Si Si1 0.33277 0.00514 0.25004
O O_11_1 0.26648 -0.00774 0.00000
O O_11_2 0.26650 -0.00775 0.50000
O O_11_3 0.38368 0.11632 0.25016
O O_11_4 0.07860 0.42140 0.25002

_iza_sc_Energy_eV_TO2 = 0.066912

_iza_sc_FrameworkDensity = 16.638101

_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 0.332770 0.005141 0.250040
EDGE 1 0.332770 0.005141 -0.250040
EDGE 1 0.332770 0.005141 0.749960
EDGE 1 0.494859 0.167230 0.250040
EDGE 1 0.505141 -0.167230 0.250040

#MMJT_TO_anneal_parms 13 13.254522856 5.473788832 0.332769939 0.005140787 0.250040487 0.266479352 -0.007736970 0.266503343 -0.007746665 0.116321035 0.250160331 0.421402324 0.250020388 0.066911919
# Graph Descriptor
# 127
# 1
# 0 
# 4
# 0 28 0
# 0 29 0
# 0 42 0
# 0 43 0

Viewer

127L_1_8

CIF file

CGD file