Viewer

10L_2_10787

Structure Data

Name

10L_2_10787

Type Code

n/a

Spacegroup

P 2/m

Energy (eV/TO₂)

0.03

FD (T/1000 Å³)

12.991

UC volume (Å³)

461.854

avg. TD₁₀

248

Lattice Parameters

13.332

10.871

5.359

90.000

36.485

90.000

Topological Data

CS and VS

CS T1	1 4 10 14 16 22 30 32 32 40 50 50 48 58 70 68
VS T1	3.6_{2}.6.6.6.6
CS T2	1 4 8 13 20 23 24 31 40 41 40 49 60 59 56 67
VS T2	3.6.4.6.4.6

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_10787_2D_bgbmin.cif
# energy = 0.025541
#FD = 12.99 T-atoms/1000 Angstroms^3

_cell_length_a           13.3320
_cell_length_b           10.8708
_cell_length_c           5.3594
_cell_angle_alpha        90.0000
_cell_angle_beta         36.4848
_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 0.05981 0.36397 0.13037
O O_11_1 0.00000 0.29135 1.00000
O O_11_2 0.00000 0.29135 0.50000
O O_11_3 -0.02485 0.50000 0.29972
O O_12_1 0.26383 0.37936 0.72234
Si Si2 0.38453 0.50000 0.48095
O O_22_1 0.50000 0.50000 1.00000
O O_22_2 0.50000 0.50000 0.50000

_iza_sc_Energy_eV_TO2 = 0.025541

_iza_sc_FrameworkDensity = 12.991110

_iza_sc_avgTD10 = 247.000

loop_
_iza_sc_CoordinationSequence
1 4 8 13 20 23 24 31 40 41 40 49 60 59 56 67 
1 4 10 14 16 22 30 32 32 40 50 50 48 58 70 68

loop_
_iza_sc_VertexSymbols
3.6.4.6.4.6
3.6_{2}.6.6.6.6

loop_
_iza_sc_Systre_edges
ATOM 1 4 0.059814 0.363967 0.130365
EDGE 1 -0.059814 0.363967 -0.130365
EDGE 1 -0.059814 0.363967 0.869635
EDGE 1 0.059814 0.636033 0.130365
EDGE 1 0.384528 0.500000 -0.519051
ATOM 2 4 0.384528 0.500000 0.480949
EDGE 2 0.615472 0.500000 -0.480949
EDGE 2 0.615472 0.500000 0.519051
EDGE 2 0.059814 0.363967 1.130365
EDGE 2 0.059814 0.636033 1.130365

#MMJT_TO_anneal_parms 16 13.331984850 10.870812541 5.359405942 0.636779333 0.059814241 0.363967285 0.130365429 0.384527802 0.480949260 0.291345858 0.291348751 -0.024853316 0.299716608 0.263827808 0.379363779 0.722344937 0.025540798
# Graph Descriptor
# 10
# 2
# 0 20 
# 6
# 0 3 0
# 0 4 0
# 0 24 0
# 0 2 1
# 1 6 1
# 1 7 1

Viewer

10L_2_10787

CIF file

CGD file