Pr3Rh2Cl
Alexandria ALEXAlex-ID: agm005805836 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_1005_spg63
Pr2RhCl PrRh
2023-08-17 07:50:47.283379
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005805836).
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 agm005805836
data_agm005805836
_cell_length_a 4.13503
_cell_length_b 8.15101
_cell_length_c 9.86711
_cell_angle_alpha 89.99999
_cell_angle_beta 90.00001
_cell_angle_gamma 104.69370
_cell_volume 321.69139
_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 0.61697 0.23393 0.05882 1.00000
Pr2 Pr 0.12881 0.25762 0.75000 1.00000
Pr3 Pr 0.61697 0.23393 0.44118 1.00000
Pr4 Pr 0.87119 0.74238 0.25000 1.00000
Pr5 Pr 0.38303 0.76607 0.94118 1.00000
Pr6 Pr 0.38303 0.76607 0.55882 1.00000
Rh1 Rh 0.00000 0.00000 0.00000 1.00000
Rh2 Rh 0.00000 0.00000 0.50000 1.00000
Rh3 Rh 0.48450 0.96900 0.25000 1.00000
Rh4 Rh 0.51550 0.03100 0.75000 1.00000
Cl1 Cl 0.21776 0.43552 0.25000 1.00000
Cl2 Cl 0.78224 0.56448 0.75000 1.00000
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