Ce2U(PaP2)3
Alexandria ALEXAlex-ID: agm004621287 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_28_spg12
CePa4P5 CePaP2 UP
2022-06-28 18:53:19.580885
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004621287).
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 agm004621287
data_agm004621287
_cell_length_a 3.99074
_cell_length_b 8.00980
_cell_length_c 8.94088
_cell_angle_alpha 102.91932
_cell_angle_beta 102.89551
_cell_angle_gamma 90.00000
_cell_volume 271.16057
_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 0.83400 0.66647 0.66799 1.00000
Ce2 Ce 0.16600 0.33353 0.33201 1.00000
U1 U 0.50000 0.00000 0.00000 1.00000
Pa1 Pa 0.50000 0.50000 0.00000 1.00000
Pa2 Pa 0.83275 0.16480 0.66549 1.00000
Pa3 Pa 0.16725 0.83520 0.33451 1.00000
P1 P 0.33391 0.92114 0.66781 1.00000
P2 P 0.66508 0.58922 0.33017 1.00000
P3 P 0.66609 0.07886 0.33219 1.00000
P4 P 0.99781 0.24768 0.99561 1.00000
P5 P 0.00219 0.75232 0.00439 1.00000
P6 P 0.33492 0.41078 0.66983 1.00000
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