La3PuIn2
Alexandria ALEXAlex-ID: agm019740595 · Space group: Imma (#74)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_936_spg15
La5In3 Pu LaIn
2025-04-14 03:18:06
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm019740595).
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 agm019740595
data_agm019740595
_cell_length_a 9.70220
_cell_length_b 9.70220
_cell_length_c 9.70220
_cell_angle_alpha 146.27173
_cell_angle_beta 132.00245
_cell_angle_gamma 59.94424
_cell_volume 373.39479
_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 0.32334 0.83702 0.48631 1.00000
La2 La 0.14929 0.16298 0.98631 1.00000
La3 La 0.00000 0.50000 0.50000 1.00000
La4 La 0.67666 0.16298 0.51369 1.00000
La5 La 0.50000 0.50000 0.00000 1.00000
La6 La 0.85071 0.83702 0.01369 1.00000
Pu1 Pu 0.42864 0.67864 0.75000 1.00000
Pu2 Pu 0.57136 0.32136 0.25000 1.00000
In1 In 0.08295 0.33295 0.75000 1.00000
In2 In 0.74076 0.99076 0.75000 1.00000
In3 In 0.91705 0.66705 0.25000 1.00000
In4 In 0.25924 0.00924 0.25000 1.00000
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