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51L_1_11

Structure Data

Name

51L_1_11

Type Code

n/a

Spacegroup

P m m a

Energy (eV/TO₂)

0.10

FD (T/1000 Å³)

8.590

UC volume (Å³)

931.362

avg. TD₁₀

Lattice Parameters

20.883

16.081

2.773

90.000

Topological Data

CS and VS

CS T1	1 4 7 8 8 8 8 8 8 8 8 8 8 8 8 8
VS T1	4.4.4.4.4.0

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_51L_1_11_1D_bgbmin.cif
# energy = 0.096569
#FD = 8.59 T-atoms/1000 Angstroms^3

_cell_length_a           20.8829
_cell_length_b           16.0805
_cell_length_c           2.7735
_cell_angle_alpha        90.0000
_cell_angle_beta         90.0000
_cell_angle_gamma        90.0000
_symmetry_space_group_name_H-M  'P m m a'
_symmetry_Int_Tables_number 51

loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Si Si1 0.17267 0.09476 0.33769
O O_11_1 0.14906 0.13979 0.83770
O O_11_2 0.14617 0.00000 0.33760
O O_11_3 0.25000 0.09205 0.33771

_iza_sc_Energy_eV_TO2 = 0.096569

_iza_sc_FrameworkDensity = 8.589555

_iza_sc_avgTD10 = 76.000

loop_
_iza_sc_CoordinationSequence
1 4 7 8 8 8 8 8 8 8 8 8 8 8 8 8

loop_
_iza_sc_VertexSymbols
4.4.4.4.4.0

loop_
_iza_sc_Systre_edges
ATOM 1 4 0.172667 0.094760 0.337686
EDGE 1 0.172667 0.094760 1.337686
EDGE 1 0.172667 -0.094760 0.337686
EDGE 1 0.327333 0.094760 0.337686
EDGE 1 0.172667 0.094760 -0.662314

#MMJT_TO_anneal_parms 13 20.882881635 16.080515664 2.773504907 0.172666533 0.094759516 0.337685528 0.149061328 0.139785903 0.837699988 0.146168562 0.337599822 0.092051601 0.337707913 0.096569056
# Graph Descriptor
# 51
# 1
# 0 
# 3
# 0 1 0
# 0 18 0
# 0 24 0

Viewer

51L_1_11

CIF file

CGD file