Viewer

CIF file

# This CIF file was created by TO_anneal version 1.009

data_10_2_286_bgbmin.cif
# energy = 0.013938
#FD = 19.25 T-atoms/1000 Angstroms^3

_cell_length_a           10.1719
_cell_length_b           8.9423
_cell_length_c           5.2821
_cell_angle_alpha        90.0000
_cell_angle_beta         120.1295
_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 0.07854 0.17905 0.32602
O O_11_1 0.00000 0.25012 1.00000
O O_11_2 0.00000 0.25040 0.50000
O O_11_3 0.05339 0.00000 0.30187
O O_12_1 0.25853 0.21486 0.49955
Si Si2 0.39803 0.33160 0.65598
O O_22_1 0.50000 0.32121 0.50000
O O_22_2 0.50000 0.28929 1.00000
O O_22_3 0.33216 0.50000 0.62293

_iza_sc_Energy_eV_TO2 = 0.013938

_iza_sc_FrameworkDensity = 19.251943

_iza_sc_avgTD10 = 833.000

loop_
_iza_sc_CoordinationSequence
1 4 10 21 36 54 78 106 136 173 214 256 306 360 414 477 
1 4 10 21 36 54 78 106 136 173 214 256 306 360 414 477

loop_
_iza_sc_VertexSymbols
4.6.4.6.6.8_{2}
4.6.4.6.6.8_{2}

#MMJT_TO_anneal_parms 21 10.171897171 8.942280887 5.282052561 2.096655330 0.078543588 0.179050591 0.326020327 0.398032737 0.331602501 0.655979756 0.250116768 0.250401202 0.053392402 0.301874958 0.258534640 0.214856876 0.499552976 0.321211564 0.289289696 0.332157351 0.622930545 0.013937850
# Graph Descriptor
# 10
# 2
# 0 0 
# 7
# 0 3 0
# 0 4 0
# 0 21 0
# 0 0 1
# 1 7 1
# 1 8 1
# 1 24 1

Viewer

10_2_286 Dupes Run TOTOPOL

CIF file