PuHfPa6
Alexandria ALEXAlex-ID: agm005777747 · Space group: Amm2 (#38)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC6_145_spg123
Pu Hf Pa
2023-07-24 21:55:54.591456
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005777747).
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 agm005777747
data_agm005777747
_cell_length_a 3.19877
_cell_length_b 7.81022
_cell_length_c 7.80976
_cell_angle_alpha 89.27463
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 195.09638
_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 0.00000 0.84431 0.15569 1.00000
Hf1 Hf 0.50000 0.58239 0.41761 1.00000
Pa1 Pa 0.50000 0.66402 0.83294 1.00000
Pa2 Pa 0.50000 0.16706 0.33598 1.00000
Pa3 Pa 0.50000 0.08879 0.91121 1.00000
Pa4 Pa 0.00000 0.90473 0.58038 1.00000
Pa5 Pa 0.00000 0.41962 0.09527 1.00000
Pa6 Pa 0.00000 0.32946 0.67054 1.00000
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