LaCePr
Alexandria ALEXAlex-ID: agm005654702 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_706_spg6
Ce LaPr
2023-06-17 22:38:18.240928
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005654702).
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 agm005654702
data_agm005654702
_cell_length_a 6.30290
_cell_length_b 3.63685
_cell_length_c 17.54210
_cell_angle_alpha 101.93346
_cell_angle_beta 32.96268
_cell_angle_gamma 89.95333
_cell_volume 202.25796
_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 0.36088 0.09479 0.89310 1.00000
La2 La 0.67525 0.95672 0.25774 1.00000
Ce1 Ce 0.76652 0.77625 0.57587 1.00000
Ce2 Ce 0.26966 0.27523 0.57492 1.00000
Pr1 Pr 0.85615 0.59716 0.89492 1.00000
Pr2 Pr 0.17995 0.45437 0.25592 1.00000
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