La6PmPr5
Alexandria ALEXAlex-ID: agm006117828 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_48_spg12
LaPm LaPr
2023-08-30 03:28:54.560409
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006117828).
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
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm006117828
data_agm006117828
_cell_length_a 6.45691
_cell_length_b 8.30283
_cell_length_c 8.30283
_cell_angle_alpha 84.40695
_cell_angle_beta 97.36477
_cell_angle_gamma 97.36472
_cell_volume 436.31801
_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
Pr1 Pr 0.50000 0.16615 0.83385 1.00000
Pr2 Pr 1.00000 0.33282 0.66718 1.00000
Pr3 Pr 0.50000 0.50000 0.50000 1.00000
Pr4 Pr 0.00000 0.66718 0.33282 1.00000
Pr5 Pr 0.50000 0.83385 0.16615 1.00000
Pm1 Pm 0.00000 0.00000 0.00000 1.00000
La1 La 0.24976 0.08314 0.41602 1.00000
La2 La 0.75024 0.58398 0.91686 1.00000
La3 La 0.75102 0.24940 0.24940 1.00000
La4 La 0.24898 0.75060 0.75060 1.00000
La5 La 0.24976 0.41602 0.08314 1.00000
La6 La 0.75024 0.91686 0.58398 1.00000
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