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8L_2_88

Structure Data

Name

8L_2_88

Type Code

n/a

Spacegroup

C m

Energy (eV/TO₂)

0.02

FD (T/1000 Å³)

22.479

UC volume (Å³)

355.894

avg. TD₁₀

303

Lattice Parameters

19.011

9.159

8.092

90.000

165.371

90.000

Topological Data

CS and VS

CS T1	1 4 9 15 21 27 33 39 45 51 57 63 69 75 81 87
VS T1	4.6.4.6.4.6

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_8L_2_88_2D_bgbmin.cif
# energy = 0.020237
#FD = 22.48 T-atoms/1000 Angstroms^3

_cell_length_a           19.0111
_cell_length_b           9.1594
_cell_length_c           8.0924
_cell_angle_alpha        90.0000
_cell_angle_beta         165.3708
_cell_angle_gamma        90.0000
_symmetry_space_group_name_H-M  'C m'
_symmetry_Int_Tables_number 8

loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Si Si1 0.00000 0.16680 0.00000
O O_11_1 -0.03860 0.00000 -0.15068
O O_11_2 0.19854 0.25413 0.32305
O O_12_1 0.14046 0.16720 0.49999
Si Si2 0.28118 0.16683 0.00041
O O_22_1 0.32709 0.00000 0.16555
O O_22_2 0.57904 0.24956 -0.32975

_iza_sc_Energy_eV_TO2 = 0.020237

_iza_sc_FrameworkDensity = 22.478704

_iza_sc_avgTD10 = 302.000

loop_
_iza_sc_CoordinationSequence
1 4 9 15 21 27 33 39 45 51 57 63 69 75 81 87 
1 4 9 15 21 27 33 39 45 51 57 63 69 75 81 87

loop_
_iza_sc_VertexSymbols
4.6.4.6.4.6
4.6.4.6.4.6

loop_
_iza_sc_Systre_edges
ATOM 1 4 0.000000 0.166799 0.000000
EDGE 1 0.000000 -0.166799 0.000000
EDGE 1 0.500000 0.333201 1.000000
EDGE 1 0.281176 0.166834 1.000408
EDGE 1 -0.500000 0.333201 -1.000000
ATOM 2 4 0.281176 0.166834 0.000408
EDGE 2 0.281176 -0.166834 0.000408
EDGE 2 0.781176 0.333166 1.000408
EDGE 2 0.000000 0.166799 -1.000000
EDGE 2 -0.218824 0.333166 -0.999592

#MMJT_TO_anneal_parms 21 19.011109423 9.159390666 8.092369563 2.886264895 0.166799300 0.281175989 0.166833729 0.000408319 -0.038596152 -0.150684973 0.198535819 0.254128281 0.323050318 0.140458351 0.167203370 0.499994033 0.327087787 0.165547417 0.579037501 0.249558494 -0.329752151 0.020236974
# Graph Descriptor
# 8
# 2
# 0 0 
# 5
# 0 9 0
# 0 19 0
# 0 1 1
# 1 9 1
# 1 19 1

Viewer

8L_2_88

CIF file

CGD file