PrSm5
Alexandria ALEXAlex-ID: agm010191680 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5_508_spg71
PrSm4 Sm
2024-05-05 09:08:56.208679
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010191680).
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 agm010191680
data_agm010191680
_cell_length_a 6.30326
_cell_length_b 6.30326
_cell_length_c 10.30274
_cell_angle_alpha 65.93766
_cell_angle_beta 65.93766
_cell_angle_gamma 33.64761
_cell_volume 205.20221
_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 0.66662 0.66662 0.16787 1.00000
Sm2 Sm 0.33271 0.33271 0.33478 1.00000
Sm3 Sm 0.00000 0.00000 0.50000 1.00000
Sm4 Sm 0.66729 0.66729 0.66522 1.00000
Sm5 Sm 0.33338 0.33338 0.83213 1.00000
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