La3PrRh8
Alexandria ALEXAlex-ID: agm005991027 · Space group: R3m (#160)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C8_29_spg160
LaRh2 PrRh2
2023-09-09 15:54:30.336142
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005991027).
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 agm005991027
data_agm005991027
_cell_length_a 5.44212
_cell_length_b 5.44212
_cell_length_c 9.43919
_cell_angle_alpha 73.24543
_cell_angle_beta 73.24544
_cell_angle_gamma 60.00000
_cell_volume 228.29742
_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
La1 La 0.37489 0.37489 0.87533 1.00000
La2 La 0.00031 0.00031 0.99906 1.00000
La3 La 0.49974 0.49974 0.50077 1.00000
Pr1 Pr 0.87504 0.87504 0.37488 1.00000
Rh1 Rh 0.93745 0.43725 0.18806 1.00000
Rh2 Rh 0.43775 0.93763 0.68699 1.00000
Rh3 Rh 0.43725 0.43725 0.18806 1.00000
Rh4 Rh 0.93763 0.93763 0.68699 1.00000
Rh5 Rh 0.18757 0.18757 0.43730 1.00000
Rh6 Rh 0.68749 0.68749 0.93753 1.00000
Rh7 Rh 0.43725 0.93745 0.18806 1.00000
Rh8 Rh 0.93763 0.43775 0.68699 1.00000
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