Pr2NpFe3
Alexandria ALEXAlex-ID: agm021108682 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_5823_spg14
NpFe Pr Fe
2025-04-14 23:19:56
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm021108682).
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 agm021108682
data_agm021108682
_cell_length_a 5.74075
_cell_length_b 10.83533
_cell_length_c 8.32972
_cell_angle_alpha 90.00000
_cell_angle_beta 105.25571
_cell_angle_gamma 90.00000
_cell_volume 499.87424
_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 0.65126 0.78314 0.27719 1.00000
Pr2 Pr 0.65126 0.71686 0.77719 1.00000
Pr3 Pr 0.81555 0.46896 0.13878 1.00000
Pr4 Pr 0.81555 0.03104 0.63878 1.00000
Pr5 Pr 0.18445 0.96896 0.36122 1.00000
Pr6 Pr 0.18445 0.53104 0.86122 1.00000
Pr7 Pr 0.34874 0.28314 0.22281 1.00000
Pr8 Pr 0.34874 0.21686 0.72281 1.00000
Np1 Np 0.81985 0.12787 0.04637 1.00000
Np2 Np 0.81985 0.37213 0.54637 1.00000
Np3 Np 0.18015 0.62787 0.45363 1.00000
Np4 Np 0.18015 0.87213 0.95363 1.00000
Fe1 Fe 0.69446 0.56054 0.48832 1.00000
Fe2 Fe 0.69446 0.93946 0.98832 1.00000
Fe3 Fe 0.68295 0.06859 0.26027 1.00000
Fe4 Fe 0.68295 0.43141 0.76027 1.00000
Fe5 Fe 0.93806 0.24484 0.39576 1.00000
Fe6 Fe 0.93806 0.25516 0.89576 1.00000
Fe7 Fe 0.06194 0.74484 0.10424 1.00000
Fe8 Fe 0.06194 0.75516 0.60424 1.00000
Fe9 Fe 0.31705 0.56859 0.23973 1.00000
Fe10 Fe 0.31705 0.93141 0.73973 1.00000
Fe11 Fe 0.30554 0.06054 0.01168 1.00000
Fe12 Fe 0.30554 0.43946 0.51168 1.00000
