Pr6NiOs8
Alexandria ALEXAlex-ID: agm073000606 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C8_202_spg2
PrNi Pr5Os2 PrOs2
2024-10-06 23:14:48.119803
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm073000606).
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 agm073000606
data_agm073000606
_cell_length_a 9.18715
_cell_length_b 9.18715
_cell_length_c 9.18715
_cell_angle_alpha 150.78366
_cell_angle_beta 117.72863
_cell_angle_gamma 70.24084
_cell_volume 330.84942
_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 0.81052 0.50000 0.31052 1.00000
Pr2 Pr 0.14548 0.83469 0.31079 1.00000
Pr3 Pr 0.47610 0.16531 0.31079 1.00000
Pr4 Pr 0.18948 0.50000 0.68948 1.00000
Pr5 Pr 0.85452 0.16531 0.68921 1.00000
Pr6 Pr 0.52390 0.83469 0.68921 1.00000
Ni1 Ni 0.50000 0.00000 0.50000 1.00000
Os1 Os 0.58294 0.58294 0.00000 1.00000
Os2 Os 0.41706 0.41706 0.00000 1.00000
Os3 Os 0.91909 0.91909 0.00000 1.00000
Os4 Os 0.74817 0.74817 0.00000 1.00000
Os5 Os 0.83049 0.33049 0.50000 1.00000
Os6 Os 0.08091 0.08091 0.00000 1.00000
Os7 Os 0.25183 0.25183 0.00000 1.00000
Os8 Os 0.16951 0.66951 0.50000 1.00000
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