SbCl2F
Alexandria ALEXAlex-ID: agm075894495 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_12420_spg148
SbCl3 SbF3
2025-01-30 07:10:49
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm075894495).
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 agm075894495
data_agm075894495
_cell_length_a 9.59236
_cell_length_b 9.84128
_cell_length_c 10.23772
_cell_angle_alpha 106.54598
_cell_angle_beta 107.46776
_cell_angle_gamma 104.44774
_cell_volume 822.27485
_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 0.70432 0.48631 0.21075 1.00000
Sb2 Sb 0.29568 0.51369 0.78925 1.00000
Sb3 Sb 0.79082 0.26440 0.48085 1.00000
Sb4 Sb 0.20918 0.73560 0.51915 1.00000
Sb5 Sb 0.53121 0.23082 0.71850 1.00000
Sb6 Sb 0.46879 0.76918 0.28150 1.00000
Cl1 Cl 0.79983 0.04169 0.31655 1.00000
Cl2 Cl 0.29549 0.53346 0.26232 1.00000
Cl3 Cl 0.70451 0.46654 0.73768 1.00000
Cl4 Cl 0.20017 0.95831 0.68345 1.00000
Cl5 Cl 0.25327 0.33937 0.54746 1.00000
Cl6 Cl 0.28799 0.78608 0.07240 1.00000
Cl7 Cl 0.71201 0.21392 0.92760 1.00000
Cl8 Cl 0.74673 0.66063 0.45254 1.00000
Cl9 Cl 0.91216 0.65904 0.18904 1.00000
Cl10 Cl 0.46803 0.76873 0.68093 1.00000
Cl11 Cl 0.53197 0.23127 0.31907 1.00000
Cl12 Cl 0.08784 0.34096 0.81096 1.00000
F1 F 0.68449 0.13461 0.57135 1.00000
F2 F 0.31551 0.86539 0.42865 1.00000
F3 F 0.54137 0.64494 0.13899 1.00000
F4 F 0.45863 0.35506 0.86101 1.00000
F5 F 0.85769 0.40558 0.31814 1.00000
F6 F 0.14231 0.59442 0.68186 1.00000
