Pr3Zn8Os3
Alexandria ALEXAlex-ID: agm009806403 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B3C8_0_spg71
PrZn4 PrZn2 Os
2024-04-06 15:00:19
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009806403).
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 agm009806403
data_agm009806403
_cell_length_a 8.28864
_cell_length_b 8.28864
_cell_length_c 4.35594
_cell_angle_alpha 74.77899
_cell_angle_beta 74.77899
_cell_angle_gamma 103.92790
_cell_volume 262.77368
_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 0.50000 0.50000 0.00000 1.00000
Pr2 Pr 0.79593 0.20407 0.00000 1.00000
Pr3 Pr 0.20407 0.79593 0.00000 1.00000
Zn1 Zn 0.91058 0.65586 0.71717 1.00000
Zn2 Zn 0.08942 0.34414 0.28283 1.00000
Zn3 Zn 0.34414 0.08942 0.28283 1.00000
Zn4 Zn 0.65586 0.91058 0.71717 1.00000
Zn5 Zn 0.20604 0.50455 0.64472 1.00000
Zn6 Zn 0.79396 0.49545 0.35528 1.00000
Zn7 Zn 0.49545 0.79396 0.35528 1.00000
Zn8 Zn 0.50455 0.20604 0.64472 1.00000
Os1 Os 0.00000 0.00000 0.50000 1.00000
Os2 Os 0.16359 0.16359 0.83544 1.00000
Os3 Os 0.83641 0.83641 0.16456 1.00000
Get direct link