Pr4AgPd2
Alexandria ALEXAlex-ID: agm003448239 · Space group: Cc (#9)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_905_spg9
Pr7Pd3 PrAg PrPd
2022-02-18 19:14:08.777291
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003448239).
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 agm003448239
data_agm003448239
_cell_length_a 7.26887
_cell_length_b 7.41919
_cell_length_c 8.74940
_cell_angle_alpha 108.03530
_cell_angle_beta 107.38049
_cell_angle_gamma 105.95932
_cell_volume 391.50779
_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
Pr1 Pr 0.99002 0.24141 0.39068 1.00000
Pr2 Pr 0.41001 0.50601 0.27820 1.00000
Pr3 Pr 0.89644 0.65428 0.68216 1.00000
Pr4 Pr 0.72969 0.13143 0.70054 1.00000
Pr5 Pr 0.38320 0.97806 0.22192 1.00000
Pr6 Pr 0.27938 0.18121 0.80028 1.00000
Pr7 Pr 0.46379 0.72186 0.81693 1.00000
Pr8 Pr 0.84899 0.60155 0.10938 1.00000
Ag1 Ag 0.20450 0.78255 0.48480 1.00000
Ag2 Ag 0.96945 0.04611 0.01515 1.00000
Pd1 Pd 0.46690 0.33542 0.56470 1.00000
Pd2 Pd 0.81784 0.86507 0.43158 1.00000
Pd3 Pd 0.63735 0.18371 0.06834 1.00000
Pd4 Pd 0.15246 0.52133 0.93533 1.00000
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