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10L_2_1182

Structure Data

Name

10L_2_1182

Type Code

n/a

Spacegroup

P 2/m

Energy (eV/TO₂)

0.57

FD (T/1000 Å³)

28.063

UC volume (Å³)

285.067

avg. TD₁₀

593

Lattice Parameters

15.585

6.238

2.993

90.000

101.585

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_1182_2D_bgbmin.cif
# energy = 0.571612
#FD = 28.06 T-atoms/1000 Angstroms^3

_cell_length_a           15.5854
_cell_length_b           6.2376
_cell_length_c           2.9933
_cell_angle_alpha        90.0000
_cell_angle_beta         101.5848
_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 0.28964 0.24245 0.30303
O O_11_1 0.33355 0.29775 0.84907
O O_11_2 0.30493 0.00000 0.31912
O O_12_1 0.18459 0.26985 0.19034
Si Si2 0.09223 0.25061 0.36968
O O_22_1 0.00000 0.23967 1.00000
O O_22_2 0.09803 0.00000 0.61165
O O_22_3 0.08769 0.50000 0.59918

_iza_sc_Energy_eV_TO2 = 0.571612

_iza_sc_FrameworkDensity = 28.062924

_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 0.289642 0.242448 0.303035
EDGE 1 0.289642 0.242448 1.303035
EDGE 1 0.289642 -0.242448 0.303035
EDGE 1 0.092231 0.250615 0.369684
EDGE 1 0.289642 0.242448 -0.696965
ATOM 2 4 0.092231 0.250615 0.369684
EDGE 2 -0.092231 0.250615 -0.369684
EDGE 2 0.092231 -0.250615 0.369684
EDGE 2 0.092231 0.749385 0.369684
EDGE 2 0.289642 0.242448 0.303035

#MMJT_TO_anneal_parms 23 15.585442656 6.237628469 2.993346723 1.772989734 0.289642228 0.242447956 0.303034757 0.092230585 0.250614842 0.369684465 0.333548612 0.297749347 0.849070973 0.304933767 0.319116182 0.184590057 0.269849882 0.190335124 0.239665262 0.098028213 0.611646006 0.087686173 0.599177797 0.571611893
# Graph Descriptor
# 10
# 2
# 0 0 
# 6
# 0 1 0
# 0 21 0
# 0 0 1
# 1 3 1
# 1 21 1
# 1 24 1

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10L_2_1182

CIF file

CGD file