Pm3Sn8Rh3
Alexandria ALEXAlex-ID: agm005686997 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B3C8_40_spg12
Pm2Sn5Rh3 Pm3Sn13Rh4 PmSn2
2023-06-29 13:24:58.228572
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005686997).
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 agm005686997
data_agm005686997
_cell_length_a 4.44899
_cell_length_b 10.22086
_cell_length_c 10.29255
_cell_angle_alpha 49.65518
_cell_angle_beta 77.51836
_cell_angle_gamma 77.42939
_cell_volume 346.37738
_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
Pm1 Pm 0.24560 0.80944 0.69935 1.00000
Pm2 Pm 0.75440 0.19056 0.30065 1.00000
Pm3 Pm 0.00000 0.00000 0.00000 1.00000
Sn1 Sn 0.12604 0.22739 0.52054 1.00000
Sn2 Sn 0.87396 0.77261 0.47946 1.00000
Sn3 Sn 0.81265 0.49853 0.87618 1.00000
Sn4 Sn 0.18735 0.50147 0.12382 1.00000
Sn5 Sn 0.53486 0.63659 0.29369 1.00000
Sn6 Sn 0.46514 0.36341 0.70631 1.00000
Sn7 Sn 0.37978 0.99073 0.24972 1.00000
Sn8 Sn 0.62022 0.00927 0.75028 1.00000
Rh1 Rh 0.00000 0.50000 0.50000 1.00000
Rh2 Rh 0.65743 0.67926 0.00588 1.00000
Rh3 Rh 0.34257 0.32074 0.99412 1.00000
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