Sb3Cl9OF4
Alexandria ALEXAlex-ID: agm003242572 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C4D9_9_spg2
Sb3Cl9OF4
2021-12-27 00:51:18.883675
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003242572).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}3D Crystal Structure Rendering
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm003242572
data_agm003242572
_cell_length_a 7.22073
_cell_length_b 10.19291
_cell_length_c 14.01834
_cell_angle_alpha 90.52119
_cell_angle_beta 94.42092
_cell_angle_gamma 104.21449
_cell_volume 996.76957
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Sb1 Sb 0.20049 0.94579 0.71176 1.00000
Sb2 Sb 0.79951 0.05421 0.28824 1.00000
Sb3 Sb 0.18779 0.26336 0.88910 1.00000
Sb4 Sb 0.81221 0.73664 0.11090 1.00000
Sb5 Sb 0.39348 0.35688 0.69234 1.00000
Sb6 Sb 0.60652 0.64312 0.30766 1.00000
Cl1 Cl 0.48899 0.58606 0.73439 1.00000
Cl2 Cl 0.51101 0.41394 0.26561 1.00000
Cl3 Cl 0.28973 0.85572 0.57473 1.00000
Cl4 Cl 0.71027 0.14428 0.42527 1.00000
Cl5 Cl 0.06693 0.75034 0.79209 1.00000
Cl6 Cl 0.93307 0.24966 0.20791 1.00000
Cl7 Cl 0.32655 0.17429 0.02004 1.00000
Cl8 Cl 0.67345 0.82571 0.97996 1.00000
Cl9 Cl 0.24740 0.36708 0.54054 1.00000
Cl10 Cl 0.75260 0.63292 0.45946 1.00000
Cl11 Cl 0.69463 0.33649 0.65768 1.00000
Cl12 Cl 0.30537 0.66351 0.34232 1.00000
Cl13 Cl 0.86490 0.18807 0.91022 1.00000
Cl14 Cl 0.13510 0.81193 0.08978 1.00000
Cl15 Cl 0.90851 0.97830 0.64619 1.00000
Cl16 Cl 0.09149 0.02170 0.35381 1.00000
Cl17 Cl 0.24051 0.48142 0.95507 1.00000
Cl18 Cl 0.75949 0.51858 0.04493 1.00000
O1 O 0.15000 0.31199 0.75421 1.00000
O2 O 0.85000 0.68801 0.24579 1.00000
F1 F 0.32659 0.13780 0.66612 1.00000
F2 F 0.67341 0.86220 0.33388 1.00000
F3 F 0.16488 0.06230 0.82884 1.00000
F4 F 0.83512 0.93770 0.17116 1.00000
F5 F 0.44693 0.96359 0.77841 1.00000
F6 F 0.55307 0.03641 0.22159 1.00000
F7 F 0.46769 0.30187 0.83563 1.00000
F8 F 0.53231 0.69813 0.16437 1.00000
