LaPr3Y
Alexandria ALEXAlex-ID: agm003705271 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_5786_spg166
La3Pr5 PrY2 Pr
2022-05-02 03:26:06.924138
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003705271).
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 agm003705271
data_agm003705271
_cell_length_a 6.97120
_cell_length_b 6.97120
_cell_length_c 9.77329
_cell_angle_alpha 69.10568
_cell_angle_beta 69.10568
_cell_angle_gamma 60.00000
_cell_volume 374.82726
_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 0.30394 0.30394 0.08817 1.00000
La2 La 0.69606 0.69606 0.91183 1.00000
Pr1 Pr 0.23558 0.23911 0.77678 1.00000
Pr2 Pr 0.74854 0.23558 0.77678 1.00000
Pr3 Pr 0.76089 0.25146 0.22322 1.00000
Pr4 Pr 0.25146 0.76442 0.22322 1.00000
Pr5 Pr 0.76442 0.76089 0.22322 1.00000
Pr6 Pr 0.23911 0.74854 0.77678 1.00000
Y1 Y 0.18558 0.18558 0.44325 1.00000
Y2 Y 0.81442 0.81442 0.55675 1.00000
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