La2Pr2Sm
Alexandria ALEXAlex-ID: agm014017763 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2_518_spg71
LaPr La3PrSm4 La3Pr5
2025-04-13 22:55:37
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm014017763).
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 agm014017763
data_agm014017763
_cell_length_a 9.81750
_cell_length_b 9.81750
_cell_length_c 9.81750
_cell_angle_alpha 158.20562
_cell_angle_beta 148.98673
_cell_angle_gamma 38.22655
_cell_volume 180.75362
_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 0.19924 0.69924 0.50000 1.00000
La2 La 0.80076 0.30076 0.50000 1.00000
Pr1 Pr 0.59874 0.09874 0.50000 1.00000
Pr2 Pr 0.40126 0.90126 0.50000 1.00000
Sm1 Sm 0.00000 0.50000 0.50000 1.00000
