Nd(PuFe)2
Alexandria ALEXAlex-ID: agm005960693 · Space group: Fddd (#70)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2_1752_spg2
NdPuFe2 Pu
2023-08-05 18:54:27.325630
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005960693).
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 agm005960693
data_agm005960693
_cell_length_a 5.98143
_cell_length_b 5.98143
_cell_length_c 10.43780
_cell_angle_alpha 93.53061
_cell_angle_beta 93.53065
_cell_angle_gamma 141.71812
_cell_volume 227.23932
_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
Nd1 Nd 0.87511 0.12489 0.25000 1.00000
Nd2 Nd 0.12489 0.87511 0.75000 1.00000
Pu1 Pu 0.51423 0.76429 0.52864 1.00000
Pu2 Pu 0.76429 0.51423 0.02864 1.00000
Pu3 Pu 0.48577 0.23571 0.47136 1.00000
Pu4 Pu 0.23571 0.48577 0.97136 1.00000
Fe1 Fe 0.56860 0.43140 0.25000 1.00000
Fe2 Fe 0.81841 0.18159 0.75000 1.00000
Fe3 Fe 0.18159 0.81841 0.25000 1.00000
Fe4 Fe 0.43140 0.56860 0.75000 1.00000
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