Tb5Nd6Pu
Alexandria ALEXAlex-ID: agm006118866 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_55_spg71
Tb5Nd3 Nd Pu
2023-09-02 12:58:25.457921
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006118866).
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 agm006118866
data_agm006118866
_cell_length_a 10.25066
_cell_length_b 10.25065
_cell_length_c 5.88280
_cell_angle_alpha 106.66702
_cell_angle_beta 106.66719
_cell_angle_gamma 124.72107
_cell_volume 399.33391
_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
Nd1 Nd 0.38920 0.09048 0.24013 1.00000
Nd2 Nd 0.90952 0.61080 0.75987 1.00000
Nd3 Nd 0.23984 0.23984 0.73966 1.00000
Nd4 Nd 0.76016 0.76016 0.26034 1.00000
Nd5 Nd 0.09048 0.38920 0.24013 1.00000
Nd6 Nd 0.61080 0.90952 0.75987 1.00000
Tb1 Tb 0.81498 0.18502 0.50000 1.00000
Tb2 Tb 0.67889 0.32111 1.00000 1.00000
Tb3 Tb 0.50000 0.50000 0.50000 1.00000
Tb4 Tb 0.32111 0.67889 0.00000 1.00000
Tb5 Tb 0.18502 0.81498 0.50000 1.00000
Pu1 Pu 0.00000 0.00000 0.00000 1.00000
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