Viewer

10L_2_9814

Structure Data

Name

10L_2_9814

Type Code

n/a

Spacegroup

P 2/m

Energy (eV/TO₂)

0.10

FD (T/1000 Å³)

8.316

UC volume (Å³)

721.507

avg. TD₁₀

109

Lattice Parameters

12.634

23.138

2.794

90.000

62.058

90.000

Topological Data

CS and VS

CS T1	1 4 8 11 12 12 12 12 12 12 12 12 12 12 12 12
VS T1	4.4.4.4.6.0

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_9814_1D_bgbmin.cif
# energy = 0.104399
#FD = 8.32 T-atoms/1000 Angstroms^3

_cell_length_a           12.6336
_cell_length_b           23.1384
_cell_length_c           2.7939
_cell_angle_alpha        90.0000
_cell_angle_beta         62.0582
_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 0.13781 0.37363 0.20690
O O_11_1 0.19964 0.35116 0.57889
O O_11_2 0.00000 0.35199 0.50000
O O_12_1 0.13796 0.44366 1.19489
Si Si2 0.22412 0.50000 0.99965
O O_22_1 0.30180 0.50000 0.33272

_iza_sc_Energy_eV_TO2 = 0.104399

_iza_sc_FrameworkDensity = 8.315930

_iza_sc_avgTD10 = 108.000

loop_
_iza_sc_CoordinationSequence
1 4 8 11 12 12 12 12 12 12 12 12 12 12 12 12 
1 4 8 11 12 12 12 12 12 12 12 12 12 12 12 12

loop_
_iza_sc_VertexSymbols
4.4.4.4.6.0
4.4.4.4.6.0

loop_
_iza_sc_Systre_edges
ATOM 1 4 0.137813 0.373630 0.206904
EDGE 1 0.137813 0.373630 1.206904
EDGE 1 -0.137813 0.373630 0.793096
EDGE 1 0.224121 0.500000 -0.000355
EDGE 1 0.137813 0.373630 -0.793096
ATOM 2 4 0.224121 0.500000 0.999645
EDGE 2 0.224121 0.500000 1.999645
EDGE 2 0.137813 0.373630 1.206904
EDGE 2 0.224121 0.500000 -0.000355
EDGE 2 0.137813 0.626370 1.206904

#MMJT_TO_anneal_parms 18 12.633605701 23.138379278 2.793899967 1.083120430 0.137812880 0.373630063 0.206903818 0.224120785 0.999645422 0.199641428 0.351158437 0.578888683 0.351989524 0.137960487 0.443661202 1.194894939 0.301803978 0.332718544 0.104398554
# Graph Descriptor
# 10
# 2
# 0 20 
# 4
# 0 1 0
# 0 4 0
# 0 2 1
# 1 1 1

Viewer

10L_2_9814

CIF file

CGD file