Viewer

CIF file

# This CIF file was created by TO_anneal version 1.007

data_180a_1_643_bgbmin.cif
# energy = 2.350147
#FD = 23.50 T-atoms/1000 Angstroms^3

_cell_length_a           10.9922
_cell_length_b           10.9922
_cell_length_c           4.8804
_cell_angle_alpha        90.0000
_cell_angle_beta         90.0000
_cell_angle_gamma        120.0000
_symmetry_space_group_name_H-M  'P 62 2 2'
_symmetry_Int_Tables_number 180

loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Si Si1 0.43276 0.09379 0.28938
O O_11_1 0.50000 0.00000 0.24468
O O_11_2 0.36248 0.00000 1.00000
O O_11_3 0.56767 0.13535 0.50000
O O_11_4 0.50224 0.25112 0.16667

_iza_sc_Energy_eV_TO2 = 2.350147

_iza_sc_FrameworkDensity = 23.497776

_iza_sc_avgTD10 = 1179.000

loop_
_iza_sc_CoordinationSequence
1 4 10 24 41 66 103 150 199 256 325 398 469 554 650 745

loop_
_iza_sc_VertexSymbols
4.8_{11}.4.8_{12}.8_{7}.8_{10}

#MMJT_TO_anneal_parms 9 10.992181833 4.880407066 0.432762871 0.093792223 0.289376547 0.244684166 0.362482909 0.135347139 0.251120949 2.350146856
# Graph Descriptor
# 180
# 1
# 0 
# 4
# 0 14 0
# 0 23 0
# 0 36 0
# 0 38 0

Viewer

180a_1_643 Dupes Run TOTOPOL

CIF file