Viewer

CIF file

# This CIF file was created by the TO_anneal program

data_206_1_151p_bgbmin.cif
# energy = 0.028170
#FD = 19.43 T-atoms/1000 Angstroms^3

_cell_length_a           13.5180
_cell_length_b           13.5180
_cell_length_c           13.5180
_cell_angle_alpha        90.0000
_cell_angle_beta         90.0000
_cell_angle_gamma        90.0000
_symmetry_space_group_name_H-M   'I a -3'
_symmetry_Int_Tables_number 206

loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Si Si1 0.38204 0.34008 0.08632
O O_11_1 0.38488 0.22439 0.11512
O O_11_2 0.46821 0.39859 0.14629

_iza_sc_Energy_eV_TO2 = 0.028170

_iza_sc_FrameworkDensity = 19.431462

_iza_sc_avgTD10 = 933.000

loop_
_iza_sc_CoordinationSequence
1 4 10 22 39 60 87 118 154 196 242 292 345 406 471 540

loop_
_iza_sc_VertexSymbols
4.4.6.6.8_{4}.8_{4}

#MMJT_TO_anneal_parms 10 13.517983772 0.382038271 0.340080945 0.086323681 0.275607799 0.384882590 0.115117389 0.101409419 0.353705668 0.031791988 0.028170056
# Graph Descriptor
# 206
# 1
# 0 
# 2
# 0 45 0
# 0 49 0

Viewer

206_1_151p Dupes Run TOTOPOL

CIF file