La3Pu5B
Alexandria ALEXAlex-ID: agm072259727 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C5_1245_spg8
La Pu LaB4
2024-09-24 04:20:24.058965
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072259727).
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 agm072259727
data_agm072259727
_cell_length_a 6.36486
_cell_length_b 6.11348
_cell_length_c 7.66433
_cell_angle_alpha 62.71729
_cell_angle_beta 54.02902
_cell_angle_gamma 69.47814
_cell_volume 213.13638
_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 0.52859 0.61811 0.49792 1.00000
La2 La 0.92356 0.94909 0.45390 1.00000
La3 La 0.92090 0.52697 0.99186 1.00000
Pu1 Pu 0.53794 0.13625 0.96144 1.00000
Pu2 Pu 0.06972 0.20856 0.66484 1.00000
Pu3 Pu 0.26097 0.62599 0.11735 1.00000
Pu4 Pu 0.44073 0.22834 0.28477 1.00000
Pu5 Pu 0.36590 0.02784 0.81103 1.00000
B1 B 0.87981 0.98598 0.09822 1.00000
Get direct link