Pr6SmY
Alexandria ALEXAlex-ID: agm005758984 · Space group: Fmmm (#69)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC6_232_spg69
PrSm4 Pr PrY2
2023-07-25 08:30:55.535530
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005758984).
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 agm005758984
data_agm005758984
_cell_length_a 6.38308
_cell_length_b 6.38311
_cell_length_c 8.25494
_cell_angle_alpha 105.09867
_cell_angle_beta 105.09995
_cell_angle_gamma 109.03984
_cell_volume 284.11946
_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 0.62357 0.12357 0.24716 1.00000
Pr2 Pr 0.87639 0.37645 0.75285 1.00000
Pr3 Pr 0.25004 0.25010 0.50017 1.00000
Pr4 Pr 0.12361 0.62355 0.24715 1.00000
Pr5 Pr 0.37643 0.87643 0.75284 1.00000
Pr6 Pr 0.74996 0.74990 0.49983 1.00000
Sm1 Sm 0.50000 0.50000 0.00000 1.00000
Y1 Y 0.00000 0.00000 0.00000 1.00000
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