Ca4PrPd5
Alexandria ALEXAlex-ID: agm014715014 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C5_122_spg8
Ca3PrPd4 CaPd
2025-03-25 04:58:24
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm014715014).
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 agm014715014
data_agm014715014
_cell_length_a 10.67442
_cell_length_b 10.67442
_cell_length_c 10.67442
_cell_angle_alpha 27.30272
_cell_angle_beta 27.30272
_cell_angle_gamma 27.30272
_cell_volume 225.80778
_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
Ca1 Ca 0.90245 0.90245 0.90245 1.00000
Ca2 Ca 0.30023 0.30023 0.30023 1.00000
Ca3 Ca 0.09755 0.09755 0.09755 1.00000
Ca4 Ca 0.69977 0.69977 0.69977 1.00000
Pr1 Pr 0.50000 0.50000 0.50000 1.00000
Pd1 Pd 0.59951 0.59951 0.59951 1.00000
Pd2 Pd 0.19854 0.19854 0.19854 1.00000
Pd3 Pd 0.80146 0.80146 0.80146 1.00000
Pd4 Pd 0.00000 0.00000 0.00000 1.00000
Pd5 Pd 0.40049 0.40049 0.40049 1.00000
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