La2Pr
Alexandria ALEXAlex-ID: agm015463553 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2_8463_spg12
La2Pr
2025-01-22 17:54:50
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm015463553).
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 agm015463553
data_agm015463553
_cell_length_a 6.44970
_cell_length_b 6.44970
_cell_length_c 15.35494
_cell_angle_alpha 69.66571
_cell_angle_beta 110.33429
_cell_angle_gamma 146.53446
_cell_volume 328.21912
_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 0.44499 0.55501 0.27774 1.00000
La2 La 0.55501 0.44499 0.72226 1.00000
La3 La 0.22264 0.77736 0.38811 1.00000
La4 La 0.33319 0.66681 0.83304 1.00000
La5 La 0.66681 0.33319 0.16696 1.00000
La6 La 0.77736 0.22264 0.61189 1.00000
Pr1 Pr 0.11134 0.88866 0.94435 1.00000
Pr2 Pr 0.00000 0.00000 0.50000 1.00000
Pr3 Pr 0.88866 0.11134 0.05565 1.00000
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