Pu3TlIn5
Alexandria ALEXAlex-ID: agm072490455 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C5_1071_spg8
PuTl3 PuIn3 PuIn
2024-09-25 21:09:10.092641
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072490455).
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 agm072490455
data_agm072490455
_cell_length_a 6.21153
_cell_length_b 3.70047
_cell_length_c 12.97022
_cell_angle_alpha 73.41368
_cell_angle_beta 55.47909
_cell_angle_gamma 72.65532
_cell_volume 231.87651
_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
Pu1 Pu 0.56243 0.77996 0.38352 1.00000
Pu2 Pu 0.09254 0.97232 0.42591 1.00000
Pu3 Pu 0.96661 0.38712 0.57410 1.00000
Tl1 Tl 0.92446 0.98574 0.99618 1.00000
In1 In 0.47001 0.08594 0.62353 1.00000
In2 In 0.46887 0.51936 0.19062 1.00000
In3 In 0.46066 0.35299 0.86123 1.00000
In4 In 0.08106 0.24025 0.16341 1.00000
In5 In 0.97335 0.67632 0.78149 1.00000
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