Ce(Pr3Pd)2
Alexandria ALEXAlex-ID: agm013017313 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_1405_spg14
Pr7Pd3 Ce Pr
2024-07-13 07:39:30.746793
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm013017313).
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 agm013017313
data_agm013017313
_cell_length_a 7.34689
_cell_length_b 9.99863
_cell_length_c 9.12688
_cell_angle_alpha 58.40828
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 571.09127
_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
Ce1 Ce 0.50000 0.50000 0.00000 1.00000
Ce2 Ce 0.00000 0.50000 0.50000 1.00000
Pr1 Pr 0.95305 0.05605 0.76843 1.00000
Pr2 Pr 0.66032 0.29422 0.43298 1.00000
Pr3 Pr 0.65471 0.74159 0.17606 1.00000
Pr4 Pr 0.15471 0.25841 0.32394 1.00000
Pr5 Pr 0.16032 0.70578 0.06702 1.00000
Pr6 Pr 0.45305 0.94395 0.73157 1.00000
Pr7 Pr 0.04695 0.94395 0.23157 1.00000
Pr8 Pr 0.33968 0.70578 0.56702 1.00000
Pr9 Pr 0.34529 0.25841 0.82394 1.00000
Pr10 Pr 0.84529 0.74159 0.67606 1.00000
Pr11 Pr 0.83968 0.29422 0.93298 1.00000
Pr12 Pr 0.54695 0.05605 0.26843 1.00000
Pd1 Pd 0.35329 0.49370 0.40142 1.00000
Pd2 Pd 0.85329 0.50630 0.09858 1.00000
Pd3 Pd 0.14671 0.49370 0.90142 1.00000
Pd4 Pd 0.64671 0.50630 0.59858 1.00000
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