Pr3Tl3Ni8
Alexandria ALEXAlex-ID: agm008376571 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B3C8_0_spg71
Pr5Ni19 PrNi5 PrTl3
2024-07-11 07:14:57.627844
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm008376571).
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 agm008376571
data_agm008376571
_cell_length_a 8.53633
_cell_length_b 8.53633
_cell_length_c 8.53633
_cell_angle_alpha 153.16601
_cell_angle_beta 105.92602
_cell_angle_gamma 80.40317
_cell_volume 265.60259
_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
Pr1 Pr 0.00000 0.50000 0.50000 1.00000
Pr2 Pr 0.29543 0.79543 0.50000 1.00000
Pr3 Pr 0.70457 0.20457 0.50000 1.00000
Tl1 Tl 0.50000 0.50000 0.00000 1.00000
Tl2 Tl 0.27261 0.00000 0.27261 1.00000
Tl3 Tl 0.72739 0.00000 0.72739 1.00000
Ni1 Ni 0.93310 0.68627 0.24684 1.00000
Ni2 Ni 0.06690 0.31373 0.75316 1.00000
Ni3 Ni 0.43943 0.68627 0.75316 1.00000
Ni4 Ni 0.56057 0.31373 0.24684 1.00000
Ni5 Ni 0.95729 0.84154 0.11576 1.00000
Ni6 Ni 0.04271 0.15846 0.88424 1.00000
Ni7 Ni 0.72578 0.84154 0.88424 1.00000
Ni8 Ni 0.27422 0.15846 0.11576 1.00000
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