Pu2Hf3Cr2
Alexandria ALEXAlex-ID: agm009762344 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C3_22_spg12
HfCr2 Pu Hf
2024-03-24 23:50:01.364133
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009762344).
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 agm009762344
data_agm009762344
_cell_length_a 5.79518
_cell_length_b 5.79518
_cell_length_c 7.58710
_cell_angle_alpha 78.68293
_cell_angle_beta 78.68293
_cell_angle_gamma 33.03179
_cell_volume 135.95537
_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 0.24690 0.24690 0.84113 1.00000
Pu2 Pu 0.75310 0.75310 0.15887 1.00000
Hf1 Hf 0.50000 0.50000 0.00000 1.00000
Hf2 Hf 0.62698 0.62698 0.57064 1.00000
Hf3 Hf 0.37302 0.37302 0.42936 1.00000
Cr1 Cr 0.06725 0.06725 0.28703 1.00000
Cr2 Cr 0.93275 0.93275 0.71297 1.00000
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