Sb2Cl
Alexandria ALEXAlex-ID: agm005441702 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2_1933_spg8
SbCl3 Sb
2023-03-20 14:06:17.690878
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005441702).
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 agm005441702
data_agm005441702
_cell_length_a 6.51006
_cell_length_b 6.51006
_cell_length_c 7.94353
_cell_angle_alpha 74.05530
_cell_angle_beta 74.05530
_cell_angle_gamma 35.43152
_cell_volume 186.87652
_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 0.92426 0.92426 0.83185 1.00000
Sb2 Sb 0.61244 0.61244 0.85501 1.00000
Sb3 Sb 0.38756 0.38756 0.14499 1.00000
Sb4 Sb 0.07574 0.07574 0.16815 1.00000
Cl1 Cl 0.33783 0.33783 0.64216 1.00000
Cl2 Cl 0.66217 0.66217 0.35784 1.00000
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