La5Pr2Sm
Alexandria ALEXAlex-ID: agm020439014 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C5_199_spg2
La3PrSm4 La5Pr La2Pr
2025-07-01 23:10:33
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm020439014).
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 agm020439014
data_agm020439014
_cell_length_a 6.41214
_cell_length_b 6.41214
_cell_length_c 10.52087
_cell_angle_alpha 65.79569
_cell_angle_beta 114.20431
_cell_angle_gamma 131.54341
_cell_volume 289.19242
_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 0.24982 0.75018 0.37409 1.00000
La3 La 0.75005 0.24995 0.12432 1.00000
La4 La 0.75018 0.24982 0.62591 1.00000
La5 La 0.24995 0.75005 0.87568 1.00000
Pr1 Pr 0.50052 0.49948 0.24853 1.00000
Pr2 Pr 0.49948 0.50052 0.75147 1.00000
Sm1 Sm 0.00000 0.00000 0.00000 1.00000
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