Pr(P2Pd3)2
Alexandria ALEXAlex-ID: agm003662489 · Space group: I-42m (#121)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C6_181_spg121
P3Pd7 Pr7P12Pd17 P2Pd
2022-04-08 12:35:38.587253
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003662489).
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 agm003662489
data_agm003662489
_cell_length_a 6.36943
_cell_length_b 6.36943
_cell_length_c 6.36943
_cell_angle_alpha 95.08776
_cell_angle_beta 117.10736
_cell_angle_gamma 117.10736
_cell_volume 189.89912
_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 0.00000 0.00000 0.00000 1.00000
P1 P 1.00000 0.15163 0.57847 1.00000
P2 P 0.57315 0.42153 0.42153 1.00000
P3 P 1.00000 0.57847 0.15163 1.00000
P4 P 0.42685 0.84837 0.84837 1.00000
Pd1 Pd 0.00000 0.78876 0.48954 1.00000
Pd2 Pd 0.00000 0.48954 0.78876 1.00000
Pd3 Pd 0.70078 0.21124 0.21124 1.00000
Pd4 Pd 0.50000 0.00000 0.50000 1.00000
Pd5 Pd 0.29922 0.51046 0.51046 1.00000
Pd6 Pd 0.50000 0.50000 0.00000 1.00000
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