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10L_2_10123

Structure Data

Name

10L_2_10123

Type Code

n/a

Spacegroup

P 2/m

Energy (eV/TO₂)

0.64

FD (T/1000 Å³)

12.195

UC volume (Å³)

492.003

avg. TD₁₀

109

Lattice Parameters

17.171

11.201

2.915

90.000

61.340

90.000

Topological Data

CS and VS

CS T1	1 4 10 10 10 12 12 12 12 12 12 12 12 12 12 12
VS T1	3.5_{2}.5.5.5.5
CS T2	1 4 8 12 12 12 12 12 12 12 12 12 12 12 12 12
VS T2	3.0.4.5.4.5

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_10123_1D_bgbmin.cif
# energy = 0.642753
#FD = 12.19 T-atoms/1000 Angstroms^3

_cell_length_a           17.1706
_cell_length_b           11.2015
_cell_length_c           2.9152
_cell_angle_alpha        90.0000
_cell_angle_beta         61.3399
_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 0.25318 0.36449 0.52382
O O_11_1 0.28250 0.30169 0.94090
O O_11_2 0.29231 0.50000 0.41292
O O_12_1 0.14525 0.37631 0.83065
Si Si2 0.08916 0.50000 0.00000
O O_22_1 0.00000 0.50000 1.00000
O O_22_2 0.00000 0.50000 0.50000

_iza_sc_Energy_eV_TO2 = 0.642753

_iza_sc_FrameworkDensity = 12.194942

_iza_sc_avgTD10 = 108.333

loop_
_iza_sc_CoordinationSequence
1 4 8 12 12 12 12 12 12 12 12 12 12 12 12 12 
1 4 10 10 10 12 12 12 12 12 12 12 12 12 12 12

loop_
_iza_sc_VertexSymbols
3.0.4.5.4.5
3.5_{2}.5.5.5.5

loop_
_iza_sc_Systre_edges
ATOM 1 4 0.253176 0.364490 0.523821
EDGE 1 0.253176 0.364490 1.523821
EDGE 1 0.253176 0.635510 0.523821
EDGE 1 0.089163 0.500000 1.000003
EDGE 1 0.253176 0.364490 -0.476179
ATOM 2 4 0.089163 0.500000 0.000003
EDGE 2 -0.089163 0.500000 -0.000003
EDGE 2 -0.089163 0.500000 0.999997
EDGE 2 0.253176 0.364490 -0.476179
EDGE 2 0.253176 0.635510 -0.476179

#MMJT_TO_anneal_parms 17 17.170578461 11.201505054 2.915230145 1.070583038 0.253175871 0.364490348 0.523821476 0.089162537 0.000003203 0.282497368 0.301688120 0.940899716 0.292306753 0.412922851 0.145251920 0.376309832 0.830648811 0.642752632
# Graph Descriptor
# 10
# 2
# 0 20 
# 5
# 0 1 0
# 0 24 0
# 0 1 1
# 1 3 1
# 1 4 1

Viewer

10L_2_10123

CIF file

CGD file