Pu4H11
Alexandria ALEXAlex-ID: agm006249790 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A4B11_3_spg139
Pu2H5 PuH3
2024-08-26 02:37:03.149455
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006249790).
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 agm006249790
data_agm006249790
_cell_length_a 6.47795
_cell_length_b 6.47795
_cell_length_c 5.16256
_cell_angle_alpha 66.51683
_cell_angle_beta 66.51683
_cell_angle_gamma 46.92923
_cell_volume 142.54631
_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 0.50003 0.50003 0.99995 1.00000
Pu2 Pu 0.73846 0.73846 0.26169 1.00000
Pu3 Pu 0.00004 0.00004 0.50006 1.00000
Pu4 Pu 0.26161 0.26161 0.73850 1.00000
H1 H 0.88865 0.35480 0.64518 1.00000
H2 H 0.11141 0.64526 0.88857 1.00000
H3 H 0.35496 0.88849 0.11154 1.00000
H4 H 0.64514 0.11159 0.35490 1.00000
H5 H 0.64526 0.11141 0.88857 1.00000
H6 H 0.88849 0.35496 0.11154 1.00000
H7 H 0.11159 0.64514 0.35490 1.00000
H8 H 0.35480 0.88865 0.64518 1.00000
H9 H 0.24988 0.24988 0.25008 1.00000
H10 H 0.50003 0.50003 0.50038 1.00000
H11 H 0.75022 0.75022 0.74964 1.00000
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