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10L_2_110

Structure Data

Name

10L_2_110

Type Code

n/a

Spacegroup

P 2/m

Energy (eV/TO₂)

0.94

FD (T/1000 Å³)

19.892

UC volume (Å³)

402.178

avg. TD₁₀

676

Lattice Parameters

6.645

22.638

2.877

90.000

111.672

90.000

Topological Data

CS and VS

CS T1	1 4 10 21 39 59 76 92 108 124 140 156 172 188 204 220
VS T1	4.6_{2}.4.8_{2}.6.6
CS T2	1 4 10 22 40 59 76 92 108 124 140 156 172 188 204 220
VS T2	4.6_{3}.4.8_{2}.8_{3}.10_{2}

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_110_2D_bgbmin.cif
# energy = 0.941586
#FD = 19.89 T-atoms/1000 Angstroms^3

_cell_length_a           6.6450
_cell_length_b           22.6379
_cell_length_c           2.8769
_cell_angle_alpha        90.0000
_cell_angle_beta         111.6718
_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 0.23915 0.19653 0.00202
O O_11_1 0.31705 0.22658 0.57256
O O_11_2 0.00000 0.20361 1.00000
O O_12_1 0.27075 0.12828 0.85156
Si Si2 0.24697 0.06609 0.50462
O O_22_1 0.00000 0.06427 1.00000
O O_22_2 0.50000 0.05822 0.50000
O O_22_3 0.24538 0.00000 0.74455

_iza_sc_Energy_eV_TO2 = 0.941586

_iza_sc_FrameworkDensity = 19.891714

_iza_sc_avgTD10 = 675.000

loop_
_iza_sc_CoordinationSequence
1 4 10 21 39 59 76 92 108 124 140 156 172 188 204 220 
1 4 10 22 40 59 76 92 108 124 140 156 172 188 204 220

loop_
_iza_sc_VertexSymbols
4.6_{2}.4.8_{2}.6.6
4.6_{3}.4.8_{2}.8_{3}.10_{2}

loop_
_iza_sc_Systre_edges
ATOM 1 4 0.239154 0.196525 0.002022
EDGE 1 0.239154 0.196525 1.002022
EDGE 1 -0.239154 0.196525 -0.002022
EDGE 1 0.246968 0.066089 -0.495378
EDGE 1 0.239154 0.196525 -0.997978
ATOM 2 4 0.246968 0.066089 0.504622
EDGE 2 -0.246968 0.066089 -0.504622
EDGE 2 0.753032 0.066089 0.495378
EDGE 2 0.246968 -0.066089 0.504622
EDGE 2 0.239154 0.196525 1.002022

#MMJT_TO_anneal_parms 21 6.644989522 22.637870873 2.876902844 1.949040444 0.239153667 0.196525233 0.002021678 0.246968240 0.066089474 0.504622232 0.317054150 0.226576547 0.572564999 0.203612316 0.270748133 0.128275262 0.851560330 0.064267424 0.058224620 0.245382735 0.744550196 0.941585829
# Graph Descriptor
# 10
# 2
# 0 0 
# 6
# 0 1 0
# 0 3 0
# 0 2 1
# 1 3 1
# 1 7 1
# 1 21 1

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10L_2_110

CIF file

CGD file