LaPdPt2
Alexandria ALEXAlex-ID: agm005778556 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_281_spg166
La3Pd2Pt7 LaPd3
2023-07-13 06:52:28.687373
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005778556).
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 agm005778556
data_agm005778556
_cell_length_a 5.47417
_cell_length_b 5.47417
_cell_length_c 9.60801
_cell_angle_alpha 73.44861
_cell_angle_beta 73.44861
_cell_angle_gamma 60.00001
_cell_volume 235.46863
_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 0.86162 0.86162 0.41514 1.00000
La2 La 0.13838 0.13838 0.58486 1.00000
La3 La 0.00000 0.00000 0.00000 1.00000
Pd1 Pd 0.66707 0.66707 0.99880 1.00000
Pd2 Pd 0.33293 0.33293 0.00120 1.00000
Pd3 Pd 0.50000 0.50000 0.50000 1.00000
Pt1 Pt 0.41450 0.41450 0.25282 1.00000
Pt2 Pt 0.91819 0.41450 0.25282 1.00000
Pt3 Pt 0.41450 0.91819 0.25282 1.00000
Pt4 Pt 0.58550 0.58550 0.74718 1.00000
Pt5 Pt 0.58550 0.08181 0.74718 1.00000
Pt6 Pt 0.08181 0.58550 0.74718 1.00000
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