Pr3Os
Alexandria ALEXAlex-ID: agm005543475 · Space group: P4_2/n (#86)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3_281_spg86
Pr3Os
2023-05-28 19:51:52.518996
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005543475).
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 agm005543475
data_agm005543475
_cell_length_a 6.57576
_cell_length_b 11.99636
_cell_length_c 11.99636
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 946.33549
_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 0.05596 0.28056 0.84708 1.00000
Pr2 Pr 0.05596 0.71944 0.15292 1.00000
Pr3 Pr 0.55596 0.65292 0.78056 1.00000
Pr4 Pr 0.55596 0.34708 0.21944 1.00000
Pr5 Pr 0.44404 0.21944 0.65292 1.00000
Pr6 Pr 0.44404 0.78056 0.34708 1.00000
Pr7 Pr 0.94404 0.84708 0.71944 1.00000
Pr8 Pr 0.94404 0.15292 0.28056 1.00000
Pr9 Pr 0.55766 0.36111 0.91874 1.00000
Pr10 Pr 0.55766 0.63889 0.08126 1.00000
Pr11 Pr 0.05766 0.58126 0.86111 1.00000
Pr12 Pr 0.05766 0.41874 0.13889 1.00000
Pr13 Pr 0.94234 0.13889 0.58126 1.00000
Pr14 Pr 0.94234 0.86111 0.41874 1.00000
Pr15 Pr 0.44234 0.91874 0.63889 1.00000
Pr16 Pr 0.44234 0.08126 0.36111 1.00000
Pr17 Pr 0.72745 0.05749 0.87032 1.00000
Pr18 Pr 0.72745 0.94251 0.12968 1.00000
Pr19 Pr 0.22745 0.62968 0.55749 1.00000
Pr20 Pr 0.22745 0.37032 0.44251 1.00000
Pr21 Pr 0.77255 0.44251 0.62968 1.00000
Pr22 Pr 0.77255 0.55749 0.37032 1.00000
Pr23 Pr 0.27255 0.87032 0.94251 1.00000
Pr24 Pr 0.27255 0.12968 0.05749 1.00000
Os1 Os 0.75649 0.80346 0.93484 1.00000
Os2 Os 0.75649 0.19654 0.06516 1.00000
Os3 Os 0.25649 0.56516 0.30346 1.00000
Os4 Os 0.25649 0.43484 0.69654 1.00000
Os5 Os 0.74351 0.69654 0.56516 1.00000
Os6 Os 0.74351 0.30346 0.43484 1.00000
Os7 Os 0.24351 0.93484 0.19654 1.00000
Os8 Os 0.24351 0.06516 0.80346 1.00000
