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10L_2_10271

Structure Data

Name

10L_2_10271

Type Code

n/a

Spacegroup

P 2/m

Energy (eV/TO₂)

0.31

FD (T/1000 Å³)

25.860

UC volume (Å³)

232.018

avg. TD₁₀

403

Lattice Parameters

4.954

10.696

5.745

90.000

49.653

90.000

Topological Data

CS and VS

CS T1	1 4 8 15 24 33 42 51 60 69 78 87 96 105 114 123
VS T1	4.4.4.4.6.10_{2}
CS T2	1 4 10 18 27 36 45 54 63 72 81 90 99 108 117 126
VS T2	4.6.4.6.6.6

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_10271_2D_bgbmin.cif
# energy = 0.308354
#FD = 25.86 T-atoms/1000 Angstroms^3

_cell_length_a           4.9541
_cell_length_b           10.6957
_cell_length_c           5.7453
_cell_angle_alpha        90.0000
_cell_angle_beta         49.6532
_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 0.08164 0.22976 0.21810
O O_11_1 0.00000 0.16922 1.00000
O O_11_2 0.00000 0.14514 0.50000
O O_11_3 0.50000 0.25617 1.00000
O O_12_1 -0.12855 0.36609 0.36663
Si Si2 0.06928 0.50000 0.21804
O O_22_1 0.00000 0.50000 1.00000
O O_22_2 0.50000 0.50000 1.00000

_iza_sc_Energy_eV_TO2 = 0.308354

_iza_sc_FrameworkDensity = 25.860222

_iza_sc_avgTD10 = 402.333

loop_
_iza_sc_CoordinationSequence
1 4 10 18 27 36 45 54 63 72 81 90 99 108 117 126 
1 4 8 15 24 33 42 51 60 69 78 87 96 105 114 123

loop_
_iza_sc_VertexSymbols
4.6.4.6.6.6
4.4.4.4.6.10_{2}

loop_
_iza_sc_Systre_edges
ATOM 1 4 0.081643 0.229758 0.218103
EDGE 1 -0.081643 0.229758 -0.218103
EDGE 1 -0.081643 0.229758 0.781897
EDGE 1 0.918357 0.229758 -0.218103
EDGE 1 0.069279 0.500000 0.218035
ATOM 2 4 0.069279 0.500000 0.218035
EDGE 2 -0.069279 0.500000 -0.218035
EDGE 2 0.930721 0.500000 -0.218035
EDGE 2 0.081643 0.229758 0.218103
EDGE 2 0.081643 0.770242 0.218103

#MMJT_TO_anneal_parms 15 4.954089460 10.695726605 5.745269781 0.866611302 0.081643065 0.229758241 0.218102881 0.069279286 0.218035419 0.169218156 0.145139655 0.256166270 -0.128548717 0.366094919 0.366630115 0.308354084
# Graph Descriptor
# 10
# 2
# 0 20 
# 6
# 0 3 0
# 0 4 0
# 0 6 0
# 0 0 1
# 1 3 1
# 1 6 1

Viewer

10L_2_10271

CIF file

CGD file