Pu3(MgNi)2
Alexandria ALEXAlex-ID: agm011247563 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C3_23_spg12
Mg2Ni Pu PuNi2
2024-03-06 17:20:26.288206
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm011247563).
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 agm011247563
data_agm011247563
_cell_length_a 4.39648
_cell_length_b 4.39648
_cell_length_c 7.57269
_cell_angle_alpha 73.12046
_cell_angle_beta 73.12046
_cell_angle_gamma 60.04431
_cell_volume 119.47516
_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 0.16273 0.16273 0.04542 1.00000
Pu2 Pu 0.57575 0.57575 0.80676 1.00000
Pu3 Pu 0.86935 0.86935 0.92609 1.00000
Mg1 Mg 0.01041 0.01041 0.50292 1.00000
Mg2 Mg 0.72790 0.72790 0.34926 1.00000
Ni1 Ni 0.43255 0.43255 0.23461 1.00000
Ni2 Ni 0.30565 0.30565 0.61760 1.00000
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