Pr2PuH7
Alexandria ALEXAlex-ID: agm006209367 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C7_355_spg2
PuH3 PrH2
2024-02-01 12:01:41
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006209367).
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 agm006209367
data_agm006209367
_cell_length_a 5.72125
_cell_length_b 6.30682
_cell_length_c 6.56564
_cell_angle_alpha 146.72774
_cell_angle_beta 64.87391
_cell_angle_gamma 116.34181
_cell_volume 115.78070
_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 0.15110 0.06064 0.39547 1.00000
H2 H 0.83852 0.70997 0.60993 1.00000
H3 H 0.36545 0.35706 0.91683 1.00000
H4 H 0.01731 0.19186 0.14483 1.00000
H5 H 0.69141 0.87496 0.48330 1.00000
H6 H 0.52823 0.20449 0.12937 1.00000
H7 H 0.85202 0.54031 0.83218 1.00000
Pr1 Pr 0.26082 0.70211 0.64268 1.00000
Pr2 Pr 0.58801 0.04188 0.32175 1.00000
Pu1 Pu 0.93953 0.37411 0.99182 1.00000
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