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10L_2_1

Structure Data

Name

10L_2_1

Type Code

n/a

Spacegroup

P 2/m

Energy (eV/TO₂)

0.10

FD (T/1000 Å³)

14.005

UC volume (Å³)

571.222

avg. TD₁₀

Lattice Parameters

9.593

21.716

2.773

90.000

98.612

90.000

Topological Data

CS and VS

CS T1	1 4 7 8 8 8 8 8 8 8 8 8 8 8 8 8
VS T1	4.4.4.4.4.0

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_1_1D_bgbmin.cif
# energy = 0.096361
#FD = 14.01 T-atoms/1000 Angstroms^3

_cell_length_a           9.5928
_cell_length_b           21.7164
_cell_length_c           2.7733
_cell_angle_alpha        90.0000
_cell_angle_beta         98.6123
_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 0.16070 0.17125 0.08342
O O_11_1 0.23700 0.14851 0.62295
O O_11_2 0.00000 0.14584 1.00000
O O_12_1 0.15637 0.24535 0.08120
Si Si2 0.16071 0.31946 0.08330
O O_22_1 0.23697 0.34221 -0.37725
O O_22_2 0.00000 0.34483 1.00000

_iza_sc_Energy_eV_TO2 = 0.096361

_iza_sc_FrameworkDensity = 14.005232

_iza_sc_avgTD10 = 76.000

loop_
_iza_sc_CoordinationSequence
1 4 7 8 8 8 8 8 8 8 8 8 8 8 8 8 
1 4 7 8 8 8 8 8 8 8 8 8 8 8 8 8

loop_
_iza_sc_VertexSymbols
4.4.4.4.4.0
4.4.4.4.4.0

loop_
_iza_sc_Systre_edges
ATOM 1 4 0.160701 0.171252 0.083421
EDGE 1 0.160701 0.171252 1.083421
EDGE 1 -0.160701 0.171252 -0.083421
EDGE 1 0.160713 0.319456 0.083298
EDGE 1 0.160701 0.171252 -0.916579
ATOM 2 4 0.160713 0.319456 0.083298
EDGE 2 0.160713 0.319456 1.083298
EDGE 2 -0.160713 0.319456 -0.083298
EDGE 2 0.160701 0.171252 0.083421
EDGE 2 0.160713 0.319456 -0.916702

#MMJT_TO_anneal_parms 21 9.592795073 21.716430972 2.773262186 1.721110174 0.160701302 0.171251676 0.083421085 0.160713200 0.319455609 0.083297773 0.236997308 0.148512083 0.622952573 0.145841890 0.156370334 0.245348521 0.081200022 0.236972609 0.342210486 -0.377254903 0.344834286 0.096360852
# Graph Descriptor
# 10
# 2
# 0 0 
# 5
# 0 1 0
# 0 3 0
# 0 0 1
# 1 1 1
# 1 3 1

Viewer

10L_2_1

CIF file

CGD file