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10L_2_1210

Structure Data

Name

10L_2_1210

Type Code

n/a

Spacegroup

P 2/m

Energy (eV/TO₂)

0.59

FD (T/1000 Å³)

26.972

UC volume (Å³)

296.611

avg. TD₁₀

593

Lattice Parameters

16.094

6.255

3.006

90.000

78.559

90.000

Topological Data

CS and VS

CS T1	1 4 9 18 32 48 64 80 96 112 128 144 160 176 192 208
VS T1	4.4.4.8_{2}.8_{2}.0
CS T2	1 4 9 18 32 48 64 80 96 112 128 144 160 176 192 208
VS T2	4.8_{2}.4.8_{2}.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_1210_2D_bgbmin.cif
# energy = 0.594735
#FD = 26.97 T-atoms/1000 Angstroms^3

_cell_length_a           16.0943
_cell_length_b           6.2546
_cell_length_c           3.0063
_cell_angle_alpha        90.0000
_cell_angle_beta         78.5591
_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 0.28056 0.24143 0.71963
O O_11_1 0.32241 0.29824 1.17544
O O_11_2 0.29704 0.00000 0.70244
O O_12_1 0.17870 0.26656 0.82205
Si Si2 0.08887 0.25053 0.18186
O O_22_1 0.00000 0.24180 1.00000
O O_22_2 0.09265 0.00000 0.41061
O O_22_3 0.08448 0.50000 0.41711

_iza_sc_Energy_eV_TO2 = 0.594735

_iza_sc_FrameworkDensity = 26.971570

_iza_sc_avgTD10 = 592.000

loop_
_iza_sc_CoordinationSequence
1 4 9 18 32 48 64 80 96 112 128 144 160 176 192 208 
1 4 9 18 32 48 64 80 96 112 128 144 160 176 192 208

loop_
_iza_sc_VertexSymbols
4.8_{2}.4.8_{2}.4.0
4.4.4.8_{2}.8_{2}.0

loop_
_iza_sc_Systre_edges
ATOM 1 4 0.280563 0.241434 0.719631
EDGE 1 0.280563 0.241434 1.719631
EDGE 1 0.280563 -0.241434 0.719631
EDGE 1 0.088866 0.250530 1.181863
EDGE 1 0.280563 0.241434 -0.280369
ATOM 2 4 0.088866 0.250530 0.181863
EDGE 2 -0.088866 0.250530 -0.181863
EDGE 2 0.088866 -0.250530 0.181863
EDGE 2 0.088866 0.749470 0.181863
EDGE 2 0.280563 0.241434 -0.280369

#MMJT_TO_anneal_parms 23 16.094309127 6.254601952 3.006271078 1.371114978 0.280563150 0.241434212 0.719631073 0.088866248 0.250530338 0.181863161 0.322414820 0.298243647 1.175437523 0.297044319 0.702441660 0.178700882 0.266561944 0.822052323 0.241804604 0.092647491 0.410613308 0.084481687 0.417113600 0.594735331
# Graph Descriptor
# 10
# 2
# 0 0 
# 6
# 0 1 0
# 0 21 0
# 0 1 1
# 1 3 1
# 1 21 1
# 1 24 1

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10L_2_1210

CIF file

CGD file