Pu2ReH7
Alexandria ALEXAlex-ID: agm006206702 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C7_796_spg12
Re8H H2 PuH3
2024-02-01 11:55:29
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006206702).
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 agm006206702
data_agm006206702
_cell_length_a 4.81698
_cell_length_b 4.81672
_cell_length_c 7.21027
_cell_angle_alpha 109.29571
_cell_angle_beta 70.63506
_cell_angle_gamma 120.01143
_cell_volume 133.86507
_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
H1 H 0.09402 0.75328 0.15371 1.00000
H2 H 0.85251 0.95833 0.83989 1.00000
H3 H 0.37119 0.47698 0.83986 1.00000
H4 H 0.09396 0.23459 0.15386 1.00000
H5 H 0.47318 0.85538 0.49688 1.00000
H6 H 0.57525 0.23453 0.15373 1.00000
H7 H 0.85259 0.47691 0.83970 1.00000
Pu1 Pu 0.36611 0.96349 0.81755 1.00000
Pu2 Pu 0.58036 0.74810 0.17616 1.00000
Re1 Re 0.97323 0.35580 0.99683 1.00000
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