La3Hg3Pd4
Alexandria ALEXAlex-ID: agm008604903 · Space group: Amm2 (#38)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B3C4_22_spg38
LaHg2Pd La6Hg4Pd13 LaHgPd
2024-05-05 05:03:52.560304
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm008604903).
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 agm008604903
data_agm008604903
_cell_length_a 7.70370
_cell_length_b 7.70370
_cell_length_c 4.02756
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 93.57278
_cell_volume 238.55853
_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 0.84438 0.84438 0.00000 1.00000
La2 La 0.31641 0.65575 0.00000 1.00000
La3 La 0.65575 0.31641 0.00000 1.00000
Hg1 Hg 0.52113 0.98372 0.50000 1.00000
Hg2 Hg 0.98372 0.52113 0.50000 1.00000
Hg3 Hg 0.16995 0.16995 0.00000 1.00000
Pd1 Pd 0.62001 0.62001 0.50000 1.00000
Pd2 Pd 0.35232 0.35232 0.50000 1.00000
Pd3 Pd 0.88928 0.14706 0.50000 1.00000
Pd4 Pd 0.14706 0.88928 0.50000 1.00000
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