La2CuPd6
Alexandria ALEXAlex-ID: agm005752676 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_724_spg12
LaPd3 Cu
2023-07-07 00:08:25.832713
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005752676).
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 agm005752676
data_agm005752676
_cell_length_a 5.77636
_cell_length_b 5.73183
_cell_length_c 6.23915
_cell_angle_alpha 77.98458
_cell_angle_beta 90.00000
_cell_angle_gamma 120.25731
_cell_volume 173.17195
_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 0.64125 0.28250 0.17311 1.00000
La2 La 0.35875 0.71750 0.82689 1.00000
Cu1 Cu 0.00000 0.00000 0.00000 1.00000
Pd1 Pd 0.87367 0.26330 0.68288 1.00000
Pd2 Pd 0.87678 0.75356 0.68990 1.00000
Pd3 Pd 0.38963 0.26330 0.68288 1.00000
Pd4 Pd 0.12633 0.73670 0.31712 1.00000
Pd5 Pd 0.12322 0.24644 0.31010 1.00000
Pd6 Pd 0.61037 0.73670 0.31712 1.00000
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