PrSn4Rh
Alexandria ALEXAlex-ID: agm003756563 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_1381_spg2
Pr3Sn13Rh4 Pr2Sn5 Sn
2022-04-18 22:56:29.868477
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003756563).
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 agm003756563
data_agm003756563
_cell_length_a 6.52166
_cell_length_b 7.59358
_cell_length_c 8.43683
_cell_angle_alpha 112.43525
_cell_angle_beta 127.73736
_cell_angle_gamma 78.66077
_cell_volume 305.01905
_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 0.97633 0.73776 0.96387 1.00000
Pr2 Pr 0.02367 0.26224 0.03613 1.00000
Sn1 Sn 0.46454 0.08451 0.83049 1.00000
Sn2 Sn 0.51958 0.47216 0.17078 1.00000
Sn3 Sn 0.53546 0.91549 0.16951 1.00000
Sn4 Sn 0.48042 0.52784 0.82922 1.00000
Sn5 Sn 0.97590 0.87467 0.64573 1.00000
Sn6 Sn 0.28752 0.67201 0.44387 1.00000
Sn7 Sn 0.02410 0.12533 0.35427 1.00000
Sn8 Sn 0.71248 0.32799 0.55613 1.00000
Rh1 Rh 0.50000 0.00000 0.50000 1.00000
Rh2 Rh 0.00000 0.50000 0.50000 1.00000
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