La2PmPd
Alexandria ALEXAlex-ID: agm005692058 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_6950_spg62
Pm3Pd La7Pd3 Pm
2023-07-13 07:24:38.780057
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005692058).
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 agm005692058
data_agm005692058
_cell_length_a 6.63578
_cell_length_b 7.32637
_cell_length_c 10.33985
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 502.68384
_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 0.16653 0.67885 0.06037 1.00000
La2 La 0.33347 0.17885 0.43963 1.00000
La3 La 0.83347 0.32115 0.56037 1.00000
La4 La 0.66653 0.82115 0.93963 1.00000
La5 La 0.83347 0.32115 0.93963 1.00000
La6 La 0.66653 0.82115 0.56037 1.00000
La7 La 0.16653 0.67885 0.43963 1.00000
La8 La 0.33347 0.17885 0.06037 1.00000
Pm1 Pm 0.65048 0.52613 0.25000 1.00000
Pm2 Pm 0.84952 0.02613 0.25000 1.00000
Pm3 Pm 0.34952 0.47387 0.75000 1.00000
Pm4 Pm 0.15048 0.97387 0.75000 1.00000
Pd1 Pd 0.07822 0.38050 0.25000 1.00000
Pd2 Pd 0.42178 0.88050 0.25000 1.00000
Pd3 Pd 0.92178 0.61950 0.75000 1.00000
Pd4 Pd 0.57822 0.11950 0.75000 1.00000
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