Pr9Sm5
Alexandria ALEXAlex-ID: agm012149791 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A5B9_316_spg8
PrSm4 Pr
2024-07-13 04:19:16.849456
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm012149791).
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 agm012149791
data_agm012149791
_cell_length_a 9.77321
_cell_length_b 9.77321
_cell_length_c 11.67673
_cell_angle_alpha 61.46297
_cell_angle_beta 61.46297
_cell_angle_gamma 30.83670
_cell_volume 496.56342
_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 0.03643 0.03643 0.35568 1.00000
Pr2 Pr 0.17843 0.17843 0.64351 1.00000
Pr3 Pr 0.82211 0.82211 0.42639 1.00000
Pr4 Pr 0.10622 0.10622 0.99944 1.00000
Pr5 Pr 0.96351 0.96351 0.71675 1.00000
Pr6 Pr 0.39258 0.39258 0.57125 1.00000
Pr7 Pr 0.60744 0.60744 0.50045 1.00000
Pr8 Pr 0.32116 0.32116 0.92984 1.00000
Pr9 Pr 0.67941 0.67941 0.14226 1.00000
Sm1 Sm 0.53507 0.53507 0.85900 1.00000
Sm2 Sm 0.46398 0.46398 0.21288 1.00000
Sm3 Sm 0.89330 0.89330 0.07211 1.00000
Sm4 Sm 0.25113 0.25113 0.28481 1.00000
Sm5 Sm 0.74935 0.74935 0.78563 1.00000
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