PrSm(TmZn2)2
Alexandria ALEXAlex-ID: agm032390872 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D4_43_spg5
Pr2SmZn3 PrSm5Zn6 TmZn
2025-02-06 20:11:13
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm032390872).
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 agm032390872
data_agm032390872
_cell_length_a 8.80499
_cell_length_b 8.80499
_cell_length_c 8.80499
_cell_angle_alpha 33.67486
_cell_angle_beta 33.67486
_cell_angle_gamma 33.67486
_cell_volume 186.97535
_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 0.00000 0.00000 1.00000
Sm1 Sm 0.50000 0.50000 0.50000 1.00000
Tm1 Tm 0.24923 0.24923 0.24923 1.00000
Tm2 Tm 0.75077 0.75077 0.75077 1.00000
Zn1 Zn 0.62355 0.62355 0.62355 1.00000
Zn2 Zn 0.12570 0.12570 0.12570 1.00000
Zn3 Zn 0.87430 0.87430 0.87430 1.00000
Zn4 Zn 0.37645 0.37645 0.37645 1.00000
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