LaPuGa4
Alexandria ALEXAlex-ID: agm005762829 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_1388_spg71
PuGa2 LaGa2
2023-08-05 17:05:15.077942
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005762829).
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 agm005762829
data_agm005762829
_cell_length_a 5.84634
_cell_length_b 5.84634
_cell_length_c 5.84634
_cell_angle_alpha 135.32124
_cell_angle_beta 101.45514
_cell_angle_gamma 95.18312
_cell_volume 129.69858
_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
La1 La 0.50000 0.50000 0.00000 1.00000
Pu1 Pu 0.00000 0.50000 0.50000 1.00000
Ga1 Ga 0.06660 0.83374 0.23286 1.00000
Ga2 Ga 0.93340 0.16626 0.76714 1.00000
Ga3 Ga 0.39912 0.16626 0.23286 1.00000
Ga4 Ga 0.60088 0.83374 0.76714 1.00000
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