Viewer

10L_2_10700

Structure Data

Name

10L_2_10700

Type Code

n/a

Spacegroup

P 2/m

Energy (eV/TO₂)

0.68

FD (T/1000 Å³)

16.313

UC volume (Å³)

367.811

avg. TD₁₀

410

Lattice Parameters

16.190

7.407

3.124

90.000

100.991

90.000

Topological Data

CS and VS

CS T1	1 4 12 22 30 38 46 54 62 70 78 86 94 102 110 118
VS T1	5.5.5.5.6_{2}.0
CS T2	1 4 10 18 26 36 46 54 62 70 78 86 94 102 110 118
VS T2	4.5.4.5.5.0

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_10700_2D_bgbmin.cif
# energy = 0.684354
#FD = 16.31 T-atoms/1000 Angstroms^3

_cell_length_a           16.1897
_cell_length_b           7.4073
_cell_length_c           3.1244
_cell_angle_alpha        90.0000
_cell_angle_beta         100.9913
_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 0.07381 0.20334 0.37284
O O_11_1 0.00000 0.16275 1.00000
O O_11_2 0.00000 0.32498 0.50000
O O_11_3 0.10194 0.00000 0.58164
O O_12_1 0.14706 0.32162 0.21582
Si Si2 0.20640 0.50000 0.27955
O O_22_1 0.25480 0.50000 -0.17233

_iza_sc_Energy_eV_TO2 = 0.684354

_iza_sc_FrameworkDensity = 16.312840

_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 0.073812 0.203335 0.372844
EDGE 1 -0.073812 0.203335 -0.372844
EDGE 1 -0.073812 0.203335 0.627156
EDGE 1 0.073812 -0.203335 0.372844
EDGE 1 0.206399 0.500000 0.279555
ATOM 2 4 0.206399 0.500000 0.279555
EDGE 2 0.206399 0.500000 1.279555
EDGE 2 0.073812 0.203335 0.372844
EDGE 2 0.206399 0.500000 -0.720445
EDGE 2 0.073812 0.796665 0.372844

#MMJT_TO_anneal_parms 18 16.189705203 7.407329668 3.124364474 1.762631104 0.073812252 0.203335107 0.372844015 0.206398721 0.279554655 0.162748570 0.324980792 0.101940564 0.581636942 0.147056349 0.321618018 0.215823213 0.254801680 -0.172328314 0.684354374
# Graph Descriptor
# 10
# 2
# 0 20 
# 5
# 0 3 0
# 0 4 0
# 0 21 0
# 0 0 1
# 1 1 1

Viewer

10L_2_10700

CIF file

CGD file