La12Tb5Pu
Alexandria ALEXAlex-ID: agm006067904 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C12_40_spg12
La5Tb LaTb Pu
2023-08-11 17:00:53.150349
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006067904).
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 agm006067904
data_agm006067904
_cell_length_a 10.91664
_cell_length_b 11.00725
_cell_length_c 6.37232
_cell_angle_alpha 73.07368
_cell_angle_beta 89.99409
_cell_angle_gamma 60.27666
_cell_volume 626.49884
_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 0.83458 0.00002 0.49989 1.00000
La2 La 0.16546 0.99995 0.50013 1.00000
La3 La 0.67528 0.00003 0.99998 1.00000
La4 La 0.32472 0.99997 0.00002 1.00000
La5 La 0.33031 0.67212 0.99914 1.00000
La6 La 0.99787 0.67226 0.99877 1.00000
La7 La 0.00217 0.32773 0.00124 1.00000
La8 La 0.66967 0.32792 0.00084 1.00000
La9 La 0.50135 0.33464 0.49674 1.00000
La10 La 0.83633 0.66538 0.50303 1.00000
La11 La 0.16369 0.33462 0.49697 1.00000
La12 La 0.49861 0.66541 0.50324 1.00000
Tb1 Tb 0.49999 0.00001 0.49999 1.00000
Tb2 Tb 0.16526 0.66971 0.49462 1.00000
Tb3 Tb 0.83476 0.33029 0.50538 1.00000
Tb4 Tb 0.66697 0.66640 0.00332 1.00000
Tb5 Tb 0.33302 0.33361 0.99667 1.00000
Pu1 Pu 0.00002 0.99999 0.00001 1.00000
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