La5Pr4Nd3
Alexandria ALEXAlex-ID: agm005696015 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C5_119_spg2
LaPr La3Pr5 La3PrNd4
2023-06-29 12:43:32.453692
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005696015).
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 agm005696015
data_agm005696015
_cell_length_a 7.41639
_cell_length_b 11.77703
_cell_length_c 13.41565
_cell_angle_alpha 151.33072
_cell_angle_beta 56.38086
_cell_angle_gamma 129.20735
_cell_volume 435.59406
_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 0.33364 0.66675 0.83338 1.00000
La2 La 0.50000 0.00000 0.50000 1.00000
La3 La 0.75041 0.49975 0.99992 1.00000
La4 La 0.24959 0.50025 0.00008 1.00000
La5 La 0.66636 0.33325 0.16662 1.00000
Pr1 Pr 0.91660 0.83244 0.66623 1.00000
Pr2 Pr 0.83337 0.66832 0.83449 1.00000
Pr3 Pr 0.16663 0.33168 0.16551 1.00000
Pr4 Pr 0.08340 0.16756 0.33377 1.00000
Nd1 Nd 0.58294 0.16651 0.33331 1.00000
Nd2 Nd 0.00000 0.00000 0.50000 1.00000
Nd3 Nd 0.41706 0.83349 0.66669 1.00000
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