Pr5TlSn4
Alexandria ALEXAlex-ID: agm003659638 · Space group: I4 (#79)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C5_149_spg79
Pr5Sn4 Pr3Tl5 PrSn
2022-04-08 03:14:38.376937
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003659638).
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 agm003659638
data_agm003659638
_cell_length_a 6.50637
_cell_length_b 7.88089
_cell_length_c 7.88089
_cell_angle_alpha 80.18897
_cell_angle_beta 65.61951
_cell_angle_gamma 65.61951
_cell_volume 335.24195
_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 0.87450 0.41259 0.78686 1.00000
Pr2 Pr 0.28709 0.78686 0.58741 1.00000
Pr3 Pr 0.66136 0.21314 0.41259 1.00000
Pr4 Pr 0.07395 0.58741 0.21314 1.00000
Pr5 Pr 0.60069 1.00000 1.00000 1.00000
Tl1 Tl 0.12278 0.00000 0.00000 1.00000
Sn1 Sn 0.36661 0.39753 0.81421 1.00000
Sn2 Sn 0.76414 0.81421 0.60247 1.00000
Sn3 Sn 0.18083 0.18579 0.39753 1.00000
Sn4 Sn 0.57835 0.60247 0.18579 1.00000
Get direct link