Viewer

8L_2_203

Structure Data

Name

8L_2_203

Type Code

n/a

Spacegroup

C m

Energy (eV/TO₂)

0.10

FD (T/1000 Å³)

9.302

UC volume (Å³)

645.025

avg. TD₁₀

Lattice Parameters

29.233

18.778

2.791

90.000

155.105

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_203_1D_bgbmin.cif
# energy = 0.100894
#FD = 9.30 T-atoms/1000 Angstroms^3

_cell_length_a           29.2331
_cell_length_b           18.7783
_cell_length_c           2.7913
_cell_angle_alpha        90.0000
_cell_angle_beta         155.1049
_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 0.07903 0.00000
O O_11_1 -0.03518 0.11919 0.16580
O O_11_2 -0.05362 0.00000 -0.50934
O O_12_1 0.13123 0.06942 1.24672
Si Si2 0.20976 0.00000 0.99275
O O_22_1 0.28035 0.00000 2.16336

_iza_sc_Energy_eV_TO2 = 0.100894

_iza_sc_FrameworkDensity = 9.301996

_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 0.079027 0.000000
EDGE 1 0.000000 0.079027 1.000000
EDGE 1 0.000000 -0.079027 0.000000
EDGE 1 0.209759 0.000000 1.992750
EDGE 1 0.000000 0.079027 -1.000000
ATOM 2 4 0.209759 0.000000 0.992750
EDGE 2 0.209759 0.000000 1.992750
EDGE 2 0.000000 0.079027 -1.000000
EDGE 2 0.209759 0.000000 -0.007250
EDGE 2 0.000000 -0.079027 -1.000000

#MMJT_TO_anneal_parms 17 29.233082474 18.778312261 2.791288430 2.707090956 0.079027268 0.209758799 0.992750052 -0.035179888 0.119193633 0.165799427 -0.053615500 -0.509339226 0.131229978 0.069415078 1.246721082 0.280351135 2.163360237 0.100894075
# Graph Descriptor
# 8
# 2
# 0 1 
# 4
# 0 1 0
# 0 9 0
# 0 1 1
# 1 1 1

Viewer

8L_2_203

CIF file

CGD file