Viewer

CIF file

# This CIF file was created by the TO_anneal program

data_225_4_1217p_bgbmin.cif
# energy = 0.024615
#FD = 20.56 T-atoms/1000 Angstroms^3

_cell_length_a           28.5796
_cell_length_b           28.5796
_cell_length_c           28.5796
_cell_angle_alpha        90.0000
_cell_angle_beta         90.0000
_cell_angle_gamma        90.0000
_symmetry_space_group_name_H-M   'F m -3 m'
_symmetry_Int_Tables_number 225

loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Si Si1 0.25055 0.17366 0.09480
O O_11_1 0.29112, 0.20888, 0.11362
O O_11_2 0.20290, 0.20290, 0.08519
O O_11_3 0.24025, 0.13353, 0.13353
O O_12_1 0.26748, 0.14953, 0.04639
Si Si2 0.25971 0.11784 0.00000
O O_23_1 0.20864, 0.09430, 0.00000
O O_24_1 0.29739, 0.07572, 0.00000
Si Si3 0.15519 0.07693 0.00000
O O_33_1 0.12259, 0.12259, 0.00000
O O_33_2 0.14451, 0.04643, -0.04643
Si Si4 0.35377 0.07343 0.00000
O O_44_1 0.37394, 0.12606, 0.00000
O O_44_2 0.37175, 0.04625, -0.04625

_iza_sc_Energy_eV_TO2 = 0.024615

_iza_sc_FrameworkDensity = 20.562437

_iza_sc_avgTD10 = 940.600

loop_
_iza_sc_CoordinationSequence
1 4 11 23 40 62 88 119 155 196 242 292 347 407 472 542 
1 4 12 24 38 60 88 120 158 196 238 292 348 408 474 540 
1 4 11 23 40 62 88 119 155 196 242 292 347 407 472 542 
1 4 11 23 40 62 88 119 155 196 242 292 347 407 472 542

loop_
_iza_sc_VertexSymbols
4.6_{2}.6.6_{2}.6.6_{2}
6_{2}.6_{2}.6_{2}.6_{2}.6_{2}.6_{2}
4.6_{2}.6.6_{2}.6.6_{2}
4.6_{2}.6.6_{2}.6.6_{2}
# Graph Descriptor
# 225
# 4
# 0 10 10 10 
# 10
# 0 75 0
# 0 76 0
# 0 89 0
# 0 0 1
# 1 0 2
# 1 0 3
# 2 29 2
# 2 37 2
# 3 32 3
# 3 37 3

Viewer

225_4_1217p Dupes Run TOTOPOL

CIF file