Pr3Sm2Se5
Alexandria ALEXAlex-ID: agm044983864 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C5_176_spg12
Pr4SmSe5 PrSm4Se5
2025-01-07 00:16:45
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm044983864).
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
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# CIF generated by HEAS from Alexandria entry agm044983864
data_agm044983864
_cell_length_a 7.33217
_cell_length_b 7.33217
_cell_length_c 10.41671
_cell_angle_alpha 61.59879
_cell_angle_beta 118.40121
_cell_angle_gamma 146.65462
_cell_volume 267.20360
_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
Pr2 Pr 0.79648 0.20352 0.19860 1.00000
Pr3 Pr 0.20352 0.79648 0.80140 1.00000
Sm1 Sm 0.59830 0.40170 0.40094 1.00000
Sm2 Sm 0.40170 0.59830 0.59906 1.00000
Se1 Se 0.00000 0.00000 0.50000 1.00000
Se2 Se 0.40212 0.59788 0.10525 1.00000
Se3 Se 0.59788 0.40212 0.89475 1.00000
Se4 Se 0.19865 0.80135 0.30705 1.00000
Se5 Se 0.80135 0.19865 0.69295 1.00000
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