Pr2PdN9
Alexandria ALEXAlex-ID: agm101487337 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C9_988_spg1
PrN4 N2 Pd
2025-05-23 20:48:34
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm101487337).
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 agm101487337
data_agm101487337
_cell_length_a 3.93638
_cell_length_b 7.17502
_cell_length_c 8.78917
_cell_angle_alpha 124.29279
_cell_angle_beta 78.13709
_cell_angle_gamma 91.72848
_cell_volume 199.57671
_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 0.62010 0.35838 0.59806 1.00000
Pr2 Pr 0.88308 0.75531 0.43608 1.00000
Pd1 Pd 0.97916 0.83792 0.83936 1.00000
N1 N 0.30719 0.89626 0.66275 1.00000
N2 N 0.27769 0.59579 0.10288 1.00000
N3 N 0.16527 0.44340 0.45492 1.00000
N4 N 0.40000 0.54259 0.95275 1.00000
N5 N 0.80166 0.93153 0.09587 1.00000
N6 N 0.32846 0.04045 0.61567 1.00000
N7 N 0.42496 0.47045 0.36920 1.00000
N8 N 0.06811 0.16014 0.62715 1.00000
N9 N 0.74432 0.96780 0.24532 1.00000
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