Pu2PaP3
Alexandria ALEXAlex-ID: agm020604759 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_23_spg12
Pu3PaP4 PuPaP2
2024-11-02 20:06:31.062940
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm020604759).
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 agm020604759
data_agm020604759
_cell_length_a 6.92491
_cell_length_b 6.92491
_cell_length_c 6.90208
_cell_angle_alpha 80.37842
_cell_angle_beta 80.37842
_cell_angle_gamma 119.98241
_cell_volume 270.20926
_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
Pu1 Pu 0.50000 0.50000 0.50000 1.00000
Pu2 Pu 0.00000 0.00000 0.00000 1.00000
Pu3 Pu 0.16594 0.83406 0.50000 1.00000
Pu4 Pu 0.83406 0.16594 0.50000 1.00000
Pa1 Pa 0.33319 0.66681 0.00000 1.00000
Pa2 Pa 0.66681 0.33319 0.00000 1.00000
P1 P 0.25286 0.25286 0.24769 1.00000
P2 P 0.74714 0.74714 0.75231 1.00000
P3 P 0.91713 0.58197 0.24813 1.00000
P4 P 0.58197 0.91713 0.24813 1.00000
P5 P 0.41803 0.08287 0.75187 1.00000
P6 P 0.08287 0.41803 0.75187 1.00000
Get direct link