PuPaMo
Alexandria ALEXAlex-ID: agm005693366 · Space group: Fmmm (#69)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_599_spg139
Pa2Mo Pu Mo
2023-06-17 21:56:20.928413
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005693366).
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 agm005693366
data_agm005693366
_cell_length_a 3.38820
_cell_length_b 3.38820
_cell_length_c 10.71763
_cell_angle_alpha 81.10578
_cell_angle_beta 81.10577
_cell_angle_gamma 90.96630
_cell_volume 119.99127
_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 0.74256 0.25744 1.00000 1.00000
Pu2 Pu 0.25744 0.74256 0.00000 1.00000
Pa1 Pa 0.87691 0.87691 0.24690 1.00000
Pa2 Pa 0.12309 0.12309 0.75310 1.00000
Mo1 Mo 0.28350 0.28350 0.43305 1.00000
Mo2 Mo 0.71650 0.71650 0.56695 1.00000
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