La3(PdPb2)2
Alexandria ALEXAlex-ID: agm005674287 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_33_spg2
LaPb2 LaPdPb
2023-06-27 21:38:25.843016
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005674287).
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 agm005674287
data_agm005674287
_cell_length_a 4.93270
_cell_length_b 6.38647
_cell_length_c 9.54209
_cell_angle_alpha 68.15442
_cell_angle_beta 75.02066
_cell_angle_gamma 67.28264
_cell_volume 255.04547
_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 0.32467 0.70079 0.64986 1.00000
La2 La 0.00000 0.00000 0.00000 1.00000
La3 La 0.67533 0.29921 0.35014 1.00000
Pd1 Pd 0.38912 0.92368 0.29809 1.00000
Pd2 Pd 0.61088 0.07632 0.70191 1.00000
Pb1 Pb 0.30795 0.33845 0.04566 1.00000
Pb2 Pb 0.69205 0.66155 0.95434 1.00000
Pb3 Pb 0.02805 0.29963 0.64428 1.00000
Pb4 Pb 0.97195 0.70037 0.35572 1.00000
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