La2CePr4Nd
Alexandria ALEXAlex-ID: agm017118980 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D4_837_spg2
La3Pr5 La3PrNd4 Pr Ce
2025-03-29 08:49:20
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017118980).
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 agm017118980
data_agm017118980
_cell_length_a 7.38871
_cell_length_b 7.38871
_cell_length_c 12.81936
_cell_angle_alpha 73.21226
_cell_angle_beta 106.78774
_cell_angle_gamma 119.93548
_cell_volume 571.73435
_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 0.00000 0.00000 0.50000 1.00000
La2 La 0.50000 0.50000 0.00000 1.00000
La3 La 0.50000 0.00000 0.00000 1.00000
La4 La 0.00000 0.50000 0.00000 1.00000
Ce1 Ce 0.00000 0.00000 0.00000 1.00000
Ce2 Ce 0.50000 0.50000 0.50000 1.00000
Pr1 Pr 0.24989 0.25025 0.74938 1.00000
Pr2 Pr 0.24954 0.75046 0.74889 1.00000
Pr3 Pr 0.75046 0.24954 0.25111 1.00000
Pr4 Pr 0.75011 0.74975 0.25062 1.00000
Pr5 Pr 0.74939 0.25061 0.74882 1.00000
Pr6 Pr 0.25025 0.24989 0.25062 1.00000
Pr7 Pr 0.74975 0.75011 0.74938 1.00000
Pr8 Pr 0.25061 0.74939 0.25118 1.00000
Nd1 Nd 0.50000 0.00000 0.50000 1.00000
Nd2 Nd 0.00000 0.50000 0.50000 1.00000
Get direct link