La5Pr4
Alexandria ALEXAlex-ID: agm010056629 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A4B5_119_spg12
LaPr La2Pr
2025-02-02 08:12:19
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010056629).
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 agm010056629
data_agm010056629
_cell_length_a 9.97097
_cell_length_b 9.97097
_cell_length_c 9.99449
_cell_angle_alpha 64.71436
_cell_angle_beta 115.28564
_cell_angle_gamma 158.32808
_cell_volume 330.43136
_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 0.33296 0.66704 0.50004 1.00000
La2 La 0.66704 0.33296 0.49996 1.00000
La3 La 0.14877 0.85123 0.16765 1.00000
La4 La 0.85123 0.14877 0.83235 1.00000
La5 La 0.00000 0.00000 0.50000 1.00000
Pr1 Pr 0.18393 0.81607 0.83213 1.00000
Pr2 Pr 0.81607 0.18393 0.16787 1.00000
Pr3 Pr 0.51685 0.48315 0.83001 1.00000
Pr4 Pr 0.48315 0.51685 0.16999 1.00000
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