CePu(PaP2)2
Alexandria ALEXAlex-ID: agm077764110 · Space group: Imma (#74)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D4_74_spg74
Ce4Pu3PaP8 Pu3Pa5P8 Ce2PaP3
2025-01-10 02:15:46
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm077764110).
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 agm077764110
data_agm077764110
_cell_length_a 8.00830
_cell_length_b 8.00830
_cell_length_c 8.00830
_cell_angle_alpha 120.07673
_cell_angle_beta 119.97885
_cell_angle_gamma 89.95189
_cell_volume 363.01382
_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
Ce1 Ce 0.00000 0.00000 0.50000 1.00000
Ce2 Ce 0.00000 0.50000 0.00000 1.00000
Pu1 Pu 0.50000 0.50000 0.00000 1.00000
Pu2 Pu 0.00000 0.50000 0.50000 1.00000
Pa1 Pa 0.00000 0.00000 0.00000 1.00000
Pa2 Pa 0.50000 0.00000 0.50000 1.00000
Pa3 Pa 0.50000 0.50000 0.50000 1.00000
Pa4 Pa 0.50000 0.00000 0.00000 1.00000
P1 P 0.74561 0.75147 0.99413 1.00000
P2 P 0.25439 0.24853 0.00587 1.00000
P3 P 0.25734 0.75147 0.50587 1.00000
P4 P 0.74266 0.24853 0.49413 1.00000
P5 P 0.74714 0.74918 0.50204 1.00000
P6 P 0.25286 0.25082 0.49796 1.00000
P7 P 0.74714 0.24509 0.99796 1.00000
P8 P 0.25286 0.75491 0.00204 1.00000
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