Viewer

10L_2_122

Structure Data

Name

10L_2_122

Type Code

n/a

Spacegroup

P 2/m

Energy (eV/TO₂)

0.60

FD (T/1000 Å³)

22.309

UC volume (Å³)

358.600

avg. TD₁₀

638

Lattice Parameters

6.900

19.191

2.999

90.000

115.464

90.000

Topological Data

CS and VS

CS T1	1 4 10 21 37 54 70 86 102 118 134 150 166 182 198 214
VS T1	4.5_{2}.4.8_{2}.8_{3}.0
CS T2	1 4 10 20 37 54 70 86 102 118 134 150 166 182 198 214
VS T2	4.5.4.8_{2}.5.0

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_122_2D_bgbmin.cif
# energy = 0.604960
#FD = 22.31 T-atoms/1000 Angstroms^3

_cell_length_a           6.9003
_cell_length_b           19.1912
_cell_length_c           2.9993
_cell_angle_alpha        90.0000
_cell_angle_beta         115.4636
_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 0.24210 0.23140 0.23123
O O_11_1 0.29785 0.26616 0.78534
O O_11_2 0.00000 0.24458 1.00000
O O_12_1 0.26757 0.14766 1.26337
Si Si2 0.25050 0.07372 0.98215
O O_22_1 0.00000 0.07635 0.50000
O O_22_2 0.50000 0.06946 1.00000
O O_22_3 0.24429 0.00000 1.25196

_iza_sc_Energy_eV_TO2 = 0.604960

_iza_sc_FrameworkDensity = 22.309063

_iza_sc_avgTD10 = 636.500

loop_
_iza_sc_CoordinationSequence
1 4 10 20 37 54 70 86 102 118 134 150 166 182 198 214 
1 4 10 21 37 54 70 86 102 118 134 150 166 182 198 214

loop_
_iza_sc_VertexSymbols
4.5.4.8_{2}.5.0
4.5_{2}.4.8_{2}.8_{3}.0

loop_
_iza_sc_Systre_edges
ATOM 1 4 0.242104 0.231402 0.231230
EDGE 1 0.242104 0.231402 1.231230
EDGE 1 -0.242104 0.231402 -0.231230
EDGE 1 0.250495 0.073719 -0.017854
EDGE 1 0.242104 0.231402 -0.768770
ATOM 2 4 0.250495 0.073719 0.982146
EDGE 2 -0.250495 0.073719 0.017854
EDGE 2 0.749505 0.073719 1.017854
EDGE 2 0.250495 -0.073719 0.982146
EDGE 2 0.242104 0.231402 1.231230

#MMJT_TO_anneal_parms 21 6.900255812 19.191168550 2.999317019 2.015220325 0.242104400 0.231402367 0.231230207 0.250495141 0.073718673 0.982146350 0.297845531 0.266164189 0.785342225 0.244577374 0.267572399 0.147655472 1.263366988 0.076351791 0.069458526 0.244293359 1.251959882 0.604959951
# Graph Descriptor
# 10
# 2
# 0 0 
# 6
# 0 1 0
# 0 3 0
# 0 2 1
# 1 4 1
# 1 8 1
# 1 21 1

Viewer

10L_2_122

CIF file

CGD file