Viewer

2L_2_57918

Structure Data

Name

2L_2_57918

Type Code

n/a

Spacegroup

P -1

Energy (eV/TO₂)

0.77

FD (T/1000 Å³)

32.757

UC volume (Å³)

122.111

avg. TD₁₀

565

Lattice Parameters

10.710

11.028

2.924

59.234

100.014

149.058

Topological Data

CS and VS

CS T1	1 4 12 27 40 50 62 74 86 98 110 122 134 146 158 170
VS T1	6.6.6.6_{2}.6_{2}.6_{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_2L_2_57918_2D_bgbmin.cif
# energy = 0.771947
#FD = 32.76 T-atoms/1000 Angstroms^3

_cell_length_a           10.7098
_cell_length_b           11.0278
_cell_length_c           2.9237
_cell_angle_alpha        59.2339
_cell_angle_beta         100.0145
_cell_angle_gamma        149.0579
_symmetry_space_group_name_H-M  'P -1'
_symmetry_Int_Tables_number 2

loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Si Si1 0.26948 0.09580 0.34482
O O_11_1 0.27302 0.18680 0.67149
O O_12_1 0.01177 1.28955 -0.02985
O O_12_2 0.54102 0.26350 1.07517
Si Si2 0.24331 0.64202 0.20534
O O_22_1 0.00000 0.50000 1.00000
O O_22_2 0.50000 1.00000 1.00000

_iza_sc_Energy_eV_TO2 = 0.771947

_iza_sc_FrameworkDensity = 32.756912

_iza_sc_avgTD10 = 564.000

loop_
_iza_sc_CoordinationSequence
1 4 12 27 40 50 62 74 86 98 110 122 134 146 158 170 
1 4 12 27 40 50 62 74 86 98 110 122 134 146 158 170

loop_
_iza_sc_VertexSymbols
6.6.6.6_{2}.6_{2}.6_{2}
6.6.6.6_{2}.6_{2}.6_{2}

loop_
_iza_sc_Systre_edges
ATOM 1 4 0.269477 0.095797 0.344818
EDGE 1 0.269477 0.095797 1.344818
EDGE 1 -0.243307 -0.642019 1.794655
EDGE 1 0.756693 0.357981 -0.205345
EDGE 1 0.269477 0.095797 -0.655182
ATOM 2 4 0.243307 0.642019 0.205345
EDGE 2 -0.243307 0.357981 -0.205345
EDGE 2 0.756693 1.357981 -0.205345
EDGE 2 -0.269477 -0.095797 1.655182
EDGE 2 0.730523 0.904203 -0.344818

#MMJT_TO_anneal_parms 21 10.709753096 11.027848413 2.923730539 1.033826395 1.745582010 2.601551409 0.269476546 0.095796659 0.344818495 0.243307143 0.642018644 0.205344590 0.273022324 0.186797570 0.671488326 0.011772005 1.289549223 -0.029851695 0.541021036 0.263501430 1.075172560 0.771946773
# Graph Descriptor
# 2
# 2
# 0 0 
# 5
# 0 1 0
# 0 11 1
# 0 21 1
# 1 12 1
# 1 24 1

Viewer

2L_2_57918

CIF file

CGD file