La4PdPt5
Alexandria ALEXAlex-ID: agm058370655 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C5_337_spg12
La3Pt5 LaPd3 LaPt
2024-11-08 15:40:20.391862
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm058370655).
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 agm058370655
data_agm058370655
_cell_length_a 9.23661
_cell_length_b 9.23661
_cell_length_c 5.89402
_cell_angle_alpha 82.49567
_cell_angle_beta 82.49567
_cell_angle_gamma 27.64501
_cell_volume 231.19721
_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 0.60413 0.60413 0.19889 1.00000
La2 La 0.17232 0.17232 0.67702 1.00000
La3 La 0.82768 0.82768 0.32298 1.00000
La4 La 0.39587 0.39587 0.80111 1.00000
Pd1 Pd 0.00000 0.00000 0.50000 1.00000
Pt1 Pt 0.43859 0.43859 0.28151 1.00000
Pt2 Pt 0.22804 0.22804 0.16555 1.00000
Pt3 Pt 0.77196 0.77196 0.83445 1.00000
Pt4 Pt 0.00000 0.00000 0.00000 1.00000
Pt5 Pt 0.56141 0.56141 0.71849 1.00000
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