Tb5Pr4Tl
Alexandria ALEXAlex-ID: agm003648564 · Space group: I4mm (#107)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C5_149_spg79
Tb5Pr3 Tb5Pr Pr5Tl3
2022-04-07 20:23:20.151875
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003648564).
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 agm003648564
data_agm003648564
_cell_length_a 5.89732
_cell_length_b 8.21359
_cell_length_c 8.21359
_cell_angle_alpha 82.59518
_cell_angle_beta 68.96137
_cell_angle_gamma 68.96137
_cell_volume 346.57662
_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
Tb1 Tb 0.77020 0.36862 0.00002 1.00000
Tb2 Tb 0.13883 0.00002 0.63138 1.00000
Tb3 Tb 0.77022 0.99998 0.36862 1.00000
Tb4 Tb 0.13885 0.63138 0.99998 1.00000
Tb5 Tb 0.65926 0.00000 0.00000 1.00000
Pr1 Pr 0.46396 0.31206 0.68791 1.00000
Pr2 Pr 0.77602 0.68791 0.68794 1.00000
Pr3 Pr 0.15187 0.31209 0.31206 1.00000
Pr4 Pr 0.46394 0.68794 0.31209 1.00000
Tl1 Tl 0.17714 1.00000 1.00000 1.00000
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