LiPr5
Alexandria ALEXAlex-ID: agm005545708 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5_2_spg8
Pr Li
2023-05-29 05:21:28.356612
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005545708).
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 agm005545708
data_agm005545708
_cell_length_a 3.66418
_cell_length_b 9.53979
_cell_length_c 7.98149
_cell_angle_alpha 48.86899
_cell_angle_beta 76.72988
_cell_angle_gamma 78.92772
_cell_volume 204.21026
_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
Li1 Li 0.69449 0.11130 0.49973 1.00000
Pr1 Pr 0.03114 0.94874 0.98897 1.00000
Pr2 Pr 0.69441 0.61153 0.99965 1.00000
Pr3 Pr 0.35754 0.27347 0.01145 1.00000
Pr4 Pr 0.36094 0.78356 0.49455 1.00000
Pr5 Pr 0.02814 0.43807 0.50566 1.00000
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