SbSCl
Alexandria ALEXAlex-ID: agm002129487 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_7101_spg2
SbSCl
2021-11-16 17:57:01
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002129487).
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
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# CIF generated by HEAS from Alexandria entry agm002129487
data_agm002129487
_cell_length_a 5.20172
_cell_length_b 5.39620
_cell_length_c 8.31277
_cell_angle_alpha 96.35446
_cell_angle_beta 98.40755
_cell_angle_gamma 115.94476
_cell_volume 203.52424
_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 0.70162 0.50885 0.65238 1.00000
Sb2 Sb 0.29838 0.49115 0.34762 1.00000
S1 S 0.89135 0.08109 0.42219 1.00000
S2 S 0.10865 0.91891 0.57781 1.00000
Cl1 Cl 0.53739 0.77780 0.82789 1.00000
Cl2 Cl 0.46261 0.22220 0.17211 1.00000
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