Pu5(ZrH)2
Alexandria ALEXAlex-ID: agm007202008 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C5_1889_spg8
ZrH2 Pu Zr
2024-03-15 18:47:56.112840
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007202008).
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 agm007202008
data_agm007202008
_cell_length_a 5.73083
_cell_length_b 5.86015
_cell_length_c 6.32991
_cell_angle_alpha 62.39732
_cell_angle_beta 65.13125
_cell_angle_gamma 59.24126
_cell_volume 157.11053
_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 0.41820 0.40818 0.76582 1.00000
Pu2 Pu 0.60406 0.55136 0.29301 1.00000
Pu3 Pu 0.27535 0.85811 0.00859 1.00000
Pu4 Pu 0.86138 0.31753 0.98323 1.00000
Pu5 Pu 0.86165 0.83776 0.98329 1.00000
Zr1 Zr 0.19353 0.20614 0.39439 1.00000
Zr2 Zr 0.83609 0.83058 0.50270 1.00000
H1 H 0.47499 0.80400 0.53398 1.00000
H2 H 0.47475 0.18632 0.53499 1.00000
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