Pr2P2Pd
Alexandria ALEXAlex-ID: agm003403602 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2_1401_spg12
Pr2P2Pd
2022-02-11 17:50:17.984297
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003403602).
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 agm003403602
data_agm003403602
_cell_length_a 4.17666
_cell_length_b 5.88097
_cell_length_c 9.95314
_cell_angle_alpha 77.53724
_cell_angle_beta 77.88841
_cell_angle_gamma 69.20044
_cell_volume 220.77073
_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 0.69878 0.24832 0.35412 1.00000
Pr2 Pr 0.90746 0.28092 0.90416 1.00000
Pr3 Pr 0.30122 0.75168 0.64588 1.00000
Pr4 Pr 0.09254 0.71908 0.09584 1.00000
P1 P 0.04011 0.33351 0.58626 1.00000
P2 P 0.65857 0.81679 0.86606 1.00000
P3 P 0.95989 0.66649 0.41374 1.00000
P4 P 0.34143 0.18321 0.13394 1.00000
Pd1 Pd 0.57315 0.17480 0.67889 1.00000
Pd2 Pd 0.42685 0.82520 0.32111 1.00000
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