La4Pr5Nd3
Alexandria ALEXAlex-ID: agm005695950 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C5_168_spg2
La3Pr5 La3PrNd4 Pr
2023-06-29 14:56:46.756200
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005695950).
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 agm005695950
data_agm005695950
_cell_length_a 7.48840
_cell_length_b 13.04261
_cell_length_c 15.03593
_cell_angle_alpha 154.49374
_cell_angle_beta 51.58257
_cell_angle_gamma 135.89495
_cell_volume 438.36142
_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 0.83598 0.78085 0.61297 1.00000
La2 La 0.91624 0.71981 0.88693 1.00000
La3 La 0.08376 0.28019 0.11307 1.00000
La4 La 0.16402 0.21915 0.38703 1.00000
Pr1 Pr 0.41061 0.71771 0.88884 1.00000
Pr2 Pr 0.50000 0.00000 0.50000 1.00000
Pr3 Pr 0.74931 0.49799 0.99881 1.00000
Pr4 Pr 0.25069 0.50201 0.00119 1.00000
Pr5 Pr 0.58939 0.28229 0.11116 1.00000
Nd1 Nd 0.66207 0.21847 0.38902 1.00000
Nd2 Nd 0.00000 0.00000 0.50000 1.00000
Nd3 Nd 0.33793 0.78153 0.61098 1.00000
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