Viewer

CIF file

# This CIF file was created by TO_anneal version 1.006

data_10_2_300_bgbmin.cif
# energy = 0.015590
#FD = 19.49 T-atoms/1000 Angstroms^3

_cell_length_a           18.2528
_cell_length_b           8.9256
_cell_length_c           5.2858
_cell_angle_alpha        90.0000
_cell_angle_beta         151.5255
_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 0.07783 0.17877 0.48644
O O_11_1 0.00000 0.25143 1.00000
O O_11_2 0.00000 0.25190 0.50000
O O_11_3 0.04817 0.00000 0.39685
O O_12_1 0.26085 0.20997 0.04204
Si Si2 0.39564 0.33402 0.42980
O O_22_1 0.50000 0.29763 0.50000
O O_22_2 0.50000 0.32736 1.00000
O O_22_3 0.32131 0.50000 0.17657

_iza_sc_Energy_eV_TO2 = 0.015590

_iza_sc_FrameworkDensity = 19.485036

_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 18.252783321 8.925639477 5.285831243 2.644618482 0.077829570 0.178766566 0.486436759 0.395642463 0.334023648 0.429799108 0.251432181 0.251903754 0.048167905 0.396845082 0.260847901 0.209974141 0.042035471 0.297633479 0.327361678 0.321308133 0.176565627 0.015590180
# Graph Descriptor
# 10
# 2
# 0 0 
# 7
# 0 3 0
# 0 4 0
# 0 21 0
# 0 1 1
# 1 7 1
# 1 8 1
# 1 24 1

Viewer

10_2_300 Dupes Run TOTOPOL

CIF file