Viewer

10L_2_10709

Structure Data

Name

10L_2_10709

Type Code

n/a

Spacegroup

P 2/m

Energy (eV/TO₂)

0.69

FD (T/1000 Å³)

5.911

UC volume (Å³)

1015.101

avg. TD₁₀

410

Lattice Parameters

48.466

7.399

3.129

90.000

64.771

90.000

Topological Data

CS and VS

CS T1	1 4 10 18 26 36 46 54 62 70 78 86 94 102 110 118
VS T1	4.5.4.5.5.0
CS T2	1 4 12 22 30 38 46 54 62 70 78 86 94 102 110 118
VS T2	5.5.5.5.6_{2}.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_10709_2D_bgbmin.cif
# energy = 0.688820
#FD = 5.91 T-atoms/1000 Angstroms^3

_cell_length_a           48.4659
_cell_length_b           7.3993
_cell_length_c           3.1291
_cell_angle_alpha        90.0000
_cell_angle_beta         64.7712
_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 0.02675 0.20363 0.12352
O O_11_1 0.00000 0.16308 1.00000
O O_11_2 0.00000 0.32526 0.50000
O O_11_3 0.03687 0.00000 0.23703
O O_12_1 0.05334 0.32126 0.71977
Si Si2 0.07475 0.50000 0.58557
O O_22_1 0.09226 0.50000 -0.02951

_iza_sc_Energy_eV_TO2 = 0.688820

_iza_sc_FrameworkDensity = 5.910827

_iza_sc_avgTD10 = 409.000

loop_
_iza_sc_CoordinationSequence
1 4 10 18 26 36 46 54 62 70 78 86 94 102 110 118 
1 4 12 22 30 38 46 54 62 70 78 86 94 102 110 118

loop_
_iza_sc_VertexSymbols
4.5.4.5.5.0
5.5.5.5.6_{2}.0

loop_
_iza_sc_Systre_edges
ATOM 1 4 0.026750 0.203627 0.123520
EDGE 1 -0.026750 0.203627 -0.123520
EDGE 1 -0.026750 0.203627 0.876480
EDGE 1 0.026750 -0.203627 0.123520
EDGE 1 0.074747 0.500000 -0.414426
ATOM 2 4 0.074747 0.500000 0.585574
EDGE 2 0.074747 0.500000 1.585574
EDGE 2 0.026750 0.203627 1.123520
EDGE 2 0.074747 0.500000 -0.414426
EDGE 2 0.026750 0.796373 1.123520

#MMJT_TO_anneal_parms 18 48.465864734 7.399307355 3.129056021 1.130469869 0.026750356 0.203627266 0.123520452 0.074746736 0.585573503 0.163078804 0.325261094 0.036865215 0.237034223 0.053339319 0.321256446 0.719770371 0.092263965 -0.029508155 0.688819936
# Graph Descriptor
# 10
# 2
# 0 20 
# 5
# 0 3 0
# 0 4 0
# 0 21 0
# 0 2 1
# 1 1 1

Viewer

10L_2_10709

CIF file

CGD file