PuGa3Ni
Alexandria ALEXAlex-ID: agm013414744 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_274_spg63
PuGa4Ni Pu2Ga3Ni Pu2Ga5Ni3
2024-07-11 06:09:52.754541
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm013414744).
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 agm013414744
data_agm013414744
_cell_length_a 5.87070
_cell_length_b 5.87070
_cell_length_c 5.78786
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 116.16789
_cell_volume 179.03375
_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 0.23326 0.76674 0.75000 1.00000
Pu2 Pu 0.76674 0.23326 0.25000 1.00000
Ga1 Ga 0.67458 0.32542 0.75000 1.00000
Ga2 Ga 0.32542 0.67458 0.25000 1.00000
Ga3 Ga 0.72455 0.72455 0.00000 1.00000
Ga4 Ga 0.72455 0.72455 0.50000 1.00000
Ga5 Ga 0.27545 0.27545 0.00000 1.00000
Ga6 Ga 0.27545 0.27545 0.50000 1.00000
Ni1 Ni 0.90916 0.09084 0.75000 1.00000
Ni2 Ni 0.09084 0.90916 0.25000 1.00000
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