Ba4PmPd2
Alexandria ALEXAlex-ID: agm096612293 · Space group: Imm2 (#44)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_2039_spg2
Ba6Pd PmPd Ba3Pd
2025-04-11 11:51:48
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm096612293).
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 agm096612293
data_agm096612293
_cell_length_a 4.45111
_cell_length_b 6.37421
_cell_length_c 11.74253
_cell_angle_alpha 105.80374
_cell_angle_beta 100.99565
_cell_angle_gamma 89.98582
_cell_volume 314.21286
_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
Ba1 Ba 0.94309 0.37187 0.81548 1.00000
Ba2 Ba 0.72008 0.14847 0.36792 1.00000
Ba3 Ba 0.33444 0.76274 0.59674 1.00000
Ba4 Ba 0.13080 0.55935 0.19017 1.00000
Pm1 Pm 0.52853 0.95725 0.98633 1.00000
Pd1 Pd 0.10689 0.03550 0.14263 1.00000
Pd2 Pd 0.73618 0.66481 0.40074 1.00000
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