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8L_2_288

Structure Data

Name

8L_2_288

Type Code

n/a

Spacegroup

C m

Energy (eV/TO₂)

0.10

FD (T/1000 Å³)

20.252

UC volume (Å³)

296.270

avg. TD₁₀

Lattice Parameters

11.093

17.642

8.878

90.000

170.182

90.000

Topological Data

CS and VS

CS T1	1 4 6 6 6 6 6 6 6 6 6 6 6 6 6 6
VS T1	3.0.4.4.4.4

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_8L_2_288_1D_bgbmin.cif
# energy = 0.101283
#FD = 20.25 T-atoms/1000 Angstroms^3

_cell_length_a           11.0928
_cell_length_b           17.6421
_cell_length_c           8.8780
_cell_angle_alpha        90.0000
_cell_angle_beta         170.1818
_cell_angle_gamma        90.0000
_symmetry_space_group_name_H-M  'C m'
_symmetry_Int_Tables_number 8

loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Si Si1 0.00000 0.08412 0.00000
O O_11_1 0.33234 0.12692 0.26067
O O_11_2 -0.25660 0.00000 -0.36622
O O_12_1 0.62806 0.07387 0.89641
Si Si2 0.00498 0.00000 0.43397
O O_22_1 -0.15687 0.00000 1.41660

_iza_sc_Energy_eV_TO2 = 0.101283

_iza_sc_FrameworkDensity = 20.251704

_iza_sc_avgTD10 = 59.000

loop_
_iza_sc_CoordinationSequence
1 4 6 6 6 6 6 6 6 6 6 6 6 6 6 6 
1 4 6 6 6 6 6 6 6 6 6 6 6 6 6 6

loop_
_iza_sc_VertexSymbols
3.0.4.4.4.4
3.0.4.4.4.4

loop_
_iza_sc_Systre_edges
ATOM 1 4 0.000000 0.084123 0.000000
EDGE 1 1.000000 0.084123 1.000000
EDGE 1 0.000000 -0.084123 0.000000
EDGE 1 1.004982 0.000000 1.433967
EDGE 1 -1.000000 0.084123 -1.000000
ATOM 2 4 0.004982 0.000000 0.433967
EDGE 2 1.004982 0.000000 1.433967
EDGE 2 -1.000000 0.084123 -1.000000
EDGE 2 -0.995018 0.000000 -0.566033
EDGE 2 -1.000000 -0.084123 -1.000000

#MMJT_TO_anneal_parms 17 11.092848766 17.642121468 8.877985223 2.970232874 0.084122774 0.004982249 0.433967282 0.332336718 0.126919407 0.260671138 -0.256601248 -0.366216866 0.628061711 0.073868401 0.896411592 -0.156865052 1.416602414 0.101282997
# Graph Descriptor
# 8
# 2
# 0 1 
# 4
# 0 4 0
# 0 9 0
# 0 4 1
# 1 4 1

Viewer

8L_2_288

CIF file

CGD file