La4PmPr2
Alexandria ALEXAlex-ID: agm078141663 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_234_spg8
LaPm La2Pr LaPr
2025-03-29 08:33:45
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm078141663).
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 agm078141663
data_agm078141663
_cell_length_a 8.32193
_cell_length_b 8.32193
_cell_length_c 9.07582
_cell_angle_alpha 68.32395
_cell_angle_beta 111.67605
_cell_angle_gamma 154.25164
_cell_volume 252.69309
_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 0.42920 0.57080 0.28581 1.00000
La2 La 0.57080 0.42920 0.71419 1.00000
La3 La 0.85780 0.14220 0.57137 1.00000
La4 La 0.14220 0.85780 0.42863 1.00000
Pm1 Pm 0.00000 0.00000 0.00000 1.00000
Pr1 Pr 0.28682 0.71318 0.85867 1.00000
Pr2 Pr 0.71318 0.28682 0.14133 1.00000
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