PrSm6
Alexandria ALEXAlex-ID: agm024305634 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6_59_spg12
PrSm4 Sm
2025-04-19 02:47:10
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024305634).
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 agm024305634
data_agm024305634
_cell_length_a 6.29980
_cell_length_b 6.29980
_cell_length_c 8.13981
_cell_angle_alpha 82.59564
_cell_angle_beta 97.40436
_cell_angle_gamma 131.73947
_cell_volume 238.63711
_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 0.50000 1.00000
Sm1 Sm 0.28580 0.71420 0.35603 1.00000
Sm2 Sm 0.71420 0.28580 0.64397 1.00000
Sm3 Sm 0.42789 0.57211 0.78662 1.00000
Sm4 Sm 0.57211 0.42789 0.21338 1.00000
Sm5 Sm 0.85732 0.14268 0.07034 1.00000
Sm6 Sm 0.14268 0.85732 0.92966 1.00000
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