Viewer

18L_2_1992

Structure Data

Name

18L_2_1992

Type Code

cqb

Spacegroup

P 21 21 2

Energy (eV/TO₂)

0.39

FD (T/1000 Å³)

15.328

UC volume (Å³)

521.929

avg. TD₁₀

235

Lattice Parameters

7.755

6.894

9.761

90.000

Topological Data

CS and VS

CS T1	1 4 8 14 15 23 25 29 35 37 43 46 52 54 60 64
VS T1	3.5.3.5.0.0
CS T2	1 4 9 12 18 20 26 30 33 39 42 47 50 56 59 63
VS T2	3.5.5.5.0.0

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_18L_2_1992_2D_bgbmin.cif
# energy = 0.392834
#FD = 15.33 T-atoms/1000 Angstroms^3

_cell_length_a           7.7555
_cell_length_b           6.8945
_cell_length_c           9.7611
_cell_angle_alpha        90.0000
_cell_angle_beta         90.0000
_cell_angle_gamma        90.0000
_symmetry_space_group_name_H-M  'P 21 21 2'
_symmetry_Int_Tables_number 18

loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Si Si1 0.17184 0.00000 0.43869
O O_11_1 0.50000 0.50000 0.46408
O O_12_1 0.19120 0.16477 0.31023
O O_12_2 0.62145 0.70583 0.62900
O O_12_3 0.34748 -0.06892 0.51610
Si Si2 0.05604 0.33014 0.35127
O O_22_1 0.50000 0.00000 0.75826

_iza_sc_Energy_eV_TO2 = 0.392834

_iza_sc_FrameworkDensity = 15.327845

_iza_sc_avgTD10 = 234.000

loop_
_iza_sc_CoordinationSequence
1 4 8 14 15 23 25 29 35 37 43 46 52 54 60 64 
1 4 9 12 18 20 26 30 33 39 42 47 50 56 59 63

loop_
_iza_sc_VertexSymbols
3.5.3.5.0.0
3.5.5.5.0.0

loop_
_iza_sc_Systre_edges
ATOM 1 4 0.171839 0.000000 0.438685
EDGE 1 -0.171839 -0.000000 0.438685
EDGE 1 0.056038 0.330143 0.351269
EDGE 1 -0.056038 -0.330143 0.351269
EDGE 1 0.443962 -0.169857 0.648731
ATOM 2 4 0.056038 0.330143 0.351269
EDGE 2 -0.056038 0.669857 0.351269
EDGE 2 0.171839 0.000000 0.438685
EDGE 2 -0.171839 -0.000000 0.438685
EDGE 2 0.328161 0.500000 0.561315

#MMJT_TO_anneal_parms 20 7.755473194 6.894454315 9.761143290 0.171838835 0.000000050 0.438685466 0.056037974 0.330142660 0.351268588 0.464084643 0.191204491 0.164766944 0.310226049 0.621452476 0.705833981 0.628995107 0.347477067 -0.068917611 0.516096150 0.758262992 0.392834388
# Graph Descriptor
# 18
# 2
# 0 0 
# 5
# 0 3 0
# 0 0 1
# 0 3 1
# 0 19 1
# 1 6 1

Viewer

18L_2_1992

CIF file

CGD file