La3(PPd)4
Alexandria ALEXAlex-ID: agm005708189 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C4_0_spg71
La(PPd)2 LaPPd
2023-07-02 01:34:20.737214
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005708189).
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 agm005708189
data_agm005708189
_cell_length_a 4.19768
_cell_length_b 4.19531
_cell_length_c 12.64521
_cell_angle_alpha 99.55508
_cell_angle_beta 99.53726
_cell_angle_gamma 90.03482
_cell_volume 216.47388
_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 0.35023 0.85045 0.70053 1.00000
La2 La 0.64977 0.14955 0.29947 1.00000
La3 La 0.00000 0.00000 0.00000 1.00000
P1 P 0.80719 0.30718 0.61468 1.00000
P2 P 0.45323 0.45331 0.90614 1.00000
P3 P 0.54677 0.54669 0.09386 1.00000
P4 P 0.19281 0.69282 0.38532 1.00000
Pd1 Pd 0.25105 0.25142 0.50169 1.00000
Pd2 Pd 0.09438 0.59466 0.18935 1.00000
Pd3 Pd 0.90562 0.40534 0.81065 1.00000
Pd4 Pd 0.74895 0.74858 0.49831 1.00000
Get direct link