PrSmSCl
Alexandria ALEXAlex-ID: agm005199932 · Space group: R3m (#160)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD_778_spg160
PrSm4S5 Sm2SCl2 PrSm4 Pr2SCl2
2022-08-07 15:46:36.455098
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005199932).
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 agm005199932
data_agm005199932
_cell_length_a 3.91738
_cell_length_b 3.92029
_cell_length_c 7.82371
_cell_angle_alpha 90.00736
_cell_angle_beta 104.43814
_cell_angle_gamma 120.01803
_cell_volume 99.62558
_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
Pr1 Pr 0.49686 0.14627 0.65854 1.00000
Sm1 Sm 0.11278 0.95440 0.08213 1.00000
S1 S 0.30813 0.55197 0.87524 1.00000
Cl1 Cl 0.96014 0.37816 0.35375 1.00000
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