PrAlOs
Alexandria ALEXAlex-ID: agm005601320 · Space group: Imma (#74)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_63_spg74
Pr2Al3Os Pr3AlOs3 Pr3Al2Os7
2023-06-16 20:48:09.313939
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005601320).
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 agm005601320
data_agm005601320
_cell_length_a 5.68553
_cell_length_b 5.47803
_cell_length_c 5.47802
_cell_angle_alpha 60.08588
_cell_angle_beta 58.73884
_cell_angle_gamma 58.73884
_cell_volume 118.36587
_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 0.86722 0.38278 0.38278 1.00000
Pr2 Pr 0.13278 0.61722 0.61722 1.00000
Al1 Al 0.00000 0.00000 0.00000 1.00000
Al2 Al 0.50000 0.00000 0.00000 1.00000
Os1 Os 0.50000 0.50000 0.00000 1.00000
Os2 Os 0.50000 0.00000 0.50000 1.00000
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