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10L_2_7

Structure Data

Name

10L_2_7

Type Code

n/a

Spacegroup

P 2/m

Energy (eV/TO₂)

0.09

FD (T/1000 Å³)

12.566

UC volume (Å³)

636.652

avg. TD₁₀

137

Lattice Parameters

13.852

17.572

2.774

90.000

109.481

90.000

Topological Data

CS and VS

CS T1	1 4 8 12 15 16 16 16 16 16 16 16 16 16 16 16
VS T1	4.4.4.4.8.0

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_7_1D_bgbmin.cif
# energy = 0.093339
#FD = 12.57 T-atoms/1000 Angstroms^3

_cell_length_a           13.8522
_cell_length_b           17.5724
_cell_length_c           2.7743
_cell_angle_alpha        90.0000
_cell_angle_beta         109.4806
_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 0.12316 0.22421 0.20462
O O_11_1 0.15718 0.26710 0.76133
O O_11_2 0.00000 0.21546 1.00000
O O_12_1 0.17236 0.13978 0.28649
Si Si2 0.27518 0.08855 0.45766
O O_22_1 0.33814 0.10565 0.06259
O O_22_2 0.24106 0.00000 0.40060

_iza_sc_Energy_eV_TO2 = 0.093339

_iza_sc_FrameworkDensity = 12.565822

_iza_sc_avgTD10 = 136.000

loop_
_iza_sc_CoordinationSequence
1 4 8 12 15 16 16 16 16 16 16 16 16 16 16 16 
1 4 8 12 15 16 16 16 16 16 16 16 16 16 16 16

loop_
_iza_sc_VertexSymbols
4.4.4.4.8.0
4.4.4.4.8.0

loop_
_iza_sc_Systre_edges
ATOM 1 4 0.123163 0.224215 0.204621
EDGE 1 0.123163 0.224215 1.204621
EDGE 1 -0.123163 0.224215 -0.204621
EDGE 1 0.275184 0.088555 0.457661
EDGE 1 0.123163 0.224215 -0.795379
ATOM 2 4 0.275184 0.088555 0.457661
EDGE 2 0.275184 0.088555 1.457661
EDGE 2 0.275184 -0.088555 0.457661
EDGE 2 0.123163 0.224215 0.204621
EDGE 2 0.275184 0.088555 -0.542339

#MMJT_TO_anneal_parms 22 13.852176482 17.572427329 2.774282016 1.910796158 0.123163286 0.224214563 0.204620792 0.275184322 0.088554536 0.457661314 0.157184414 0.267096116 0.761328040 0.215463695 0.172360021 0.139782815 0.286491441 0.338144551 0.105646442 0.062589887 0.241055985 0.400604589 0.093339326
# Graph Descriptor
# 10
# 2
# 0 0 
# 5
# 0 1 0
# 0 3 0
# 0 0 1
# 1 1 1
# 1 21 1

Viewer

10L_2_7

CIF file

CGD file