Viewer

10L_2_12017

Structure Data

Name

10L_2_12017

Type Code

sql

Spacegroup

P 2/m

Energy (eV/TO₂)

0.29

FD (T/1000 Å³)

16.907

UC volume (Å³)

236.589

avg. TD₁₀

222

Lattice Parameters

3.968

15.024

3.968

90.000

90.003

90.000

Topological Data

CS and VS

CS T1	1 4 8 12 16 20 24 28 32 36 40 44 48 52 56 60
VS T1	4.4.4.4.0.0

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_10L_2_12017_2D_bgbmin.cif
# energy = 0.292882
#FD = 16.91 T-atoms/1000 Angstroms^3

_cell_length_a           3.9683
_cell_length_b           15.0236
_cell_length_c           3.9684
_cell_angle_alpha        90.0000
_cell_angle_beta         90.0034
_cell_angle_gamma        90.0000
_symmetry_space_group_name_H-M  'P 2/m'
_symmetry_Int_Tables_number 10

loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Si Si1 0.00000 0.19544 1.00000
O O_12_1 0.25001 0.25241 0.75000
O O_12_2 0.24998 0.13924 0.25000
Si Si2 0.50000 0.19543 0.50000

_iza_sc_Energy_eV_TO2 = 0.292882

_iza_sc_FrameworkDensity = 16.906918

_iza_sc_avgTD10 = 221.000

loop_
_iza_sc_CoordinationSequence
1 4 8 12 16 20 24 28 32 36 40 44 48 52 56 60 
1 4 8 12 16 20 24 28 32 36 40 44 48 52 56 60

loop_
_iza_sc_VertexSymbols
4.4.4.4.0.0
4.4.4.4.0.0

loop_
_iza_sc_Systre_edges
ATOM 1 4 0.000000 0.195438 1.000000
EDGE 1 0.500000 0.195432 0.500000
EDGE 1 0.500000 0.195432 1.500000
EDGE 1 -0.500000 0.195432 1.500000
EDGE 1 -0.500000 0.195432 0.500000
ATOM 2 4 0.500000 0.195432 0.500000
EDGE 2 0.000000 0.195438 1.000000
EDGE 2 0.000000 0.195438 0.000000
EDGE 2 1.000000 0.195438 0.000000
EDGE 2 1.000000 0.195438 1.000000

#MMJT_TO_anneal_parms 12 3.968297305 15.023566166 3.968426170 1.570855882 0.195438138 0.195431737 0.250009774 0.252409637 0.750002236 0.249984472 0.139244529 0.250002300 0.292881750
# Graph Descriptor
# 10
# 2
# 3 5 
# 2
# 0 0 1
# 0 1 1

Viewer

10L_2_12017

CIF file

CGD file