La3Al3Pd2Rh
Alexandria ALEXAlex-ID: agm033543700 · Space group: Pm (#6)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D3_12_spg6
La3Al3Pd2Rh
2024-12-30 22:42:36
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm033543700).
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 agm033543700
data_agm033543700
_cell_length_a 7.14957
_cell_length_b 4.54892
_cell_length_c 24.10739
_cell_angle_alpha 90.00000
_cell_angle_beta 89.97976
_cell_angle_gamma 90.00000
_cell_volume 784.03964
_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 0.45515 0.50000 0.94085 1.00000
La2 La 0.45438 0.50000 0.60948 1.00000
La3 La 0.45450 0.50000 0.27533 1.00000
La4 La 0.95480 0.50000 0.89064 1.00000
La5 La 0.95721 0.50000 0.56071 1.00000
La6 La 0.95763 0.50000 0.22610 1.00000
La7 La 0.53728 0.00000 0.72785 1.00000
La8 La 0.53346 0.00000 0.39327 1.00000
La9 La 0.53425 0.00000 0.05917 1.00000
La10 La 0.03770 0.00000 0.77244 1.00000
La11 La 0.04329 0.00000 0.43981 1.00000
La12 La 0.04360 0.00000 0.10565 1.00000
Al1 Al 0.36818 0.50000 0.81052 1.00000
Al2 Al 0.36107 0.50000 0.47875 1.00000
Al3 Al 0.36140 0.50000 0.14482 1.00000
Al4 Al 0.86703 0.50000 0.69002 1.00000
Al5 Al 0.87002 0.50000 0.35476 1.00000
Al6 Al 0.87222 0.50000 0.02045 1.00000
Al7 Al 0.63736 0.00000 0.85364 1.00000
Al8 Al 0.63484 0.00000 0.52113 1.00000
Al9 Al 0.63557 0.00000 0.18722 1.00000
Al10 Al 0.13731 0.00000 0.97905 1.00000
Al11 Al 0.13708 0.00000 0.64674 1.00000
Al12 Al 0.13719 0.00000 0.31332 1.00000
Pd1 Pd 0.72219 0.50000 0.46118 1.00000
Pd2 Pd 0.72230 0.50000 0.12749 1.00000
Pd3 Pd 0.77690 0.00000 0.96096 1.00000
Pd4 Pd 0.77457 0.00000 0.62778 1.00000
Pd5 Pd 0.77566 0.00000 0.29440 1.00000
Pd6 Pd 0.27571 0.00000 0.87208 1.00000
Pd7 Pd 0.27582 0.00000 0.53963 1.00000
Pd8 Pd 0.27623 0.00000 0.20608 1.00000
Rh1 Rh 0.22806 0.50000 0.70351 1.00000
Rh2 Rh 0.22967 0.50000 0.37117 1.00000
Rh3 Rh 0.23154 0.50000 0.03783 1.00000
Rh4 Rh 0.72885 0.50000 0.79619 1.00000
