LaPr5Tl2In
Alexandria ALEXAlex-ID: agm005176906 · Space group: I4/mcm (#140)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D5_205_spg140
LaPr5In2 Pr5Tl3 La5Tl3 La4PrIn3
2023-01-07 23:03:58.101039
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005176906).
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 agm005176906
data_agm005176906
_cell_length_a 8.19500
_cell_length_b 8.19500
_cell_length_c 10.83541
_cell_angle_alpha 112.21964
_cell_angle_beta 112.21964
_cell_angle_gamma 90.00000
_cell_volume 614.87903
_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 0.25000 0.25000 0.50000 1.00000
La2 La 0.75000 0.75000 0.50000 1.00000
Pr1 Pr 0.93570 0.43570 0.26025 1.00000
Pr2 Pr 0.67545 0.17545 0.73975 1.00000
Pr3 Pr 0.06430 0.56430 0.73975 1.00000
Pr4 Pr 0.17545 0.06430 0.73975 1.00000
Pr5 Pr 0.56430 0.67545 0.73975 1.00000
Pr6 Pr 0.82455 0.93570 0.26025 1.00000
Pr7 Pr 0.43570 0.32455 0.26025 1.00000
Pr8 Pr 0.32455 0.82455 0.26025 1.00000
Pr9 Pr 0.50000 0.50000 0.00000 1.00000
Pr10 Pr 0.00000 0.00000 0.00000 1.00000
Tl1 Tl 0.12193 0.37807 0.00000 1.00000
Tl2 Tl 0.62193 0.12193 0.00000 1.00000
Tl3 Tl 0.37807 0.87807 1.00000 1.00000
Tl4 Tl 0.87807 0.62193 0.00000 1.00000
In1 In 0.25000 0.75000 0.50000 1.00000
In2 In 0.75000 0.25000 0.50000 1.00000
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