Pu5(MgH)2
Alexandria ALEXAlex-ID: agm007148262 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C5_1745_spg2
Pu2H5 Pu Mg
2024-03-05 16:55:29.658231
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007148262).
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 agm007148262
data_agm007148262
_cell_length_a 3.13652
_cell_length_b 12.18813
_cell_length_c 10.78335
_cell_angle_alpha 122.38221
_cell_angle_beta 90.45497
_cell_angle_gamma 103.47076
_cell_volume 334.09927
_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 0.04195 0.17495 0.37587 1.00000
Pu2 Pu 0.78575 0.26625 0.24108 1.00000
Pu3 Pu 0.21425 0.73375 0.75892 1.00000
Pu4 Pu 0.95805 0.82505 0.62413 1.00000
Pu5 Pu 0.64257 0.65041 0.86313 1.00000
Pu6 Pu 0.35743 0.34959 0.13687 1.00000
Pu7 Pu 0.85615 0.33321 0.63479 1.00000
Pu8 Pu 0.14385 0.66679 0.36521 1.00000
Pu9 Pu 0.00000 0.50000 0.00000 1.00000
Pu10 Pu 0.00000 0.00000 0.50000 1.00000
Mg1 Mg 0.00000 0.00000 0.00000 1.00000
Mg2 Mg 0.50000 0.50000 0.50000 1.00000
Mg3 Mg 0.35555 0.88575 0.17801 1.00000
Mg4 Mg 0.64445 0.11425 0.82199 1.00000
H1 H 0.64851 0.15365 0.66037 1.00000
H2 H 0.35149 0.84635 0.33963 1.00000
H3 H 0.18583 0.69534 0.02662 1.00000
H4 H 0.81417 0.30466 0.97338 1.00000
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