NdPu2HfAs4
Alexandria ALEXAlex-ID: agm095536770 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D4_222_spg10
PuHfAs2 PuAs NdAs
2025-06-30 18:45:02
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm095536770).
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 agm095536770
data_agm095536770
_cell_length_a 7.07094
_cell_length_b 4.07292
_cell_length_c 7.07355
_cell_angle_alpha 90.00000
_cell_angle_beta 109.04762
_cell_angle_gamma 90.00000
_cell_volume 192.55999
_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 0.50000 0.50000 0.00000 1.00000
Pu1 Pu 0.50000 0.00000 0.50000 1.00000
Pu2 Pu 0.00000 0.00000 0.00000 1.00000
Hf1 Hf 0.00000 0.50000 0.50000 1.00000
As1 As 0.23893 0.50000 0.26111 1.00000
As2 As 0.76107 0.50000 0.73889 1.00000
As3 As 0.23037 0.00000 0.73031 1.00000
As4 As 0.76963 0.00000 0.26969 1.00000
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