Viewer

17L_1_6

Structure Data

Name

17L_1_6

Type Code

n/a

Spacegroup

P 2 2 21

Energy (eV/TO₂)

0.32

FD (T/1000 Å³)

11.935

UC volume (Å³)

335.168

avg. TD₁₀

Lattice Parameters

12.164

10.099

2.728

90.000

Topological Data

CS and VS

CS T1	1 4 8 8 8 8 8 8 8 8 8 8 8 8 8 8
VS T1	4.4.4.4.5_{3}.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_17L_1_6_1D_bgbmin.cif
# energy = 0.321320
#FD = 11.93 T-atoms/1000 Angstroms^3

_cell_length_a           12.1643
_cell_length_b           10.0991
_cell_length_c           2.7283
_cell_angle_alpha        90.0000
_cell_angle_beta         90.0000
_cell_angle_gamma        90.0000
_symmetry_space_group_name_H-M  'P 2 2 21'
_symmetry_Int_Tables_number 17

loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Si Si1 0.13030 0.14620 0.37460
O O_11_1 0.16881 0.22211 0.87426
O O_11_2 0.00000 0.13305 0.25000
O O_11_3 0.18027 0.00000 0.50000

_iza_sc_Energy_eV_TO2 = 0.321320

_iza_sc_FrameworkDensity = 11.934592

_iza_sc_avgTD10 = 77.000

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

loop_
_iza_sc_VertexSymbols
4.4.4.4.5_{3}.0

loop_
_iza_sc_Systre_edges
ATOM 1 4 0.130302 0.146201 0.374600
EDGE 1 0.130302 0.146201 1.374600
EDGE 1 -0.130302 0.146201 0.125400
EDGE 1 0.130302 -0.146201 0.625400
EDGE 1 0.130302 0.146201 -0.625400

#MMJT_TO_anneal_parms 11 12.164284926 10.099071143 2.728251454 0.130302005 0.146200773 0.374600394 0.168805801 0.222113338 0.874264327 0.133050051 0.180270204 0.321320221
# Graph Descriptor
# 17
# 1
# 0 
# 3
# 0 1 0
# 0 11 0
# 0 16 0

Viewer

17L_1_6

CIF file

CGD file