HoPu3(PaN2)4
Alexandria ALEXAlex-ID: agm084014530 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C4D8_84_spg12
Pu3Pa5N8 PuPaN2 Ho5PaN6
2025-03-01 09:28:40
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm084014530).
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 agm084014530
data_agm084014530
_cell_length_a 6.96973
_cell_length_b 6.96973
_cell_length_c 6.07064
_cell_angle_alpha 73.16441
_cell_angle_beta 106.83559
_cell_angle_gamma 119.62250
_cell_volume 241.53275
_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
Ho1 Ho 0.50000 0.50000 0.00000 1.00000
Pu1 Pu 0.75009 0.75009 0.50000 1.00000
Pu2 Pu 0.24991 0.24991 0.50000 1.00000
Pu3 Pu 0.00000 0.00000 0.00000 1.00000
Pa1 Pa 0.24989 0.75011 0.49911 1.00000
Pa2 Pa 0.75011 0.24989 0.50089 1.00000
Pa3 Pa 0.50000 0.00000 0.00000 1.00000
Pa4 Pa 0.00000 0.50000 0.00000 1.00000
N1 N 0.12392 0.38495 0.74880 1.00000
N2 N 0.87608 0.61505 0.25120 1.00000
N3 N 0.38495 0.12392 0.25120 1.00000
N4 N 0.61505 0.87608 0.74880 1.00000
N5 N 0.36953 0.63047 0.24144 1.00000
N6 N 0.63047 0.36953 0.75856 1.00000
N7 N 0.86917 0.13083 0.24632 1.00000
N8 N 0.13083 0.86917 0.75368 1.00000
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