Pr2NbRu3
Alexandria ALEXAlex-ID: agm041362546 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_1900_spg8
Pr7Ru3 Nb3Ru5 PrRu2
2025-04-14 04:04:20
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm041362546).
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 agm041362546
data_agm041362546
_cell_length_a 5.28393
_cell_length_b 5.28393
_cell_length_c 5.28393
_cell_angle_alpha 67.12716
_cell_angle_beta 67.12716
_cell_angle_gamma 67.12716
_cell_volume 120.23325
_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 0.37272 0.37272 0.37272 1.00000
Pr2 Pr 0.62728 0.62728 0.62728 1.00000
Nb1 Nb 0.00000 0.00000 0.00000 1.00000
Ru1 Ru 0.50000 0.00000 0.00000 1.00000
Ru2 Ru 0.00000 0.00000 0.50000 1.00000
Ru3 Ru 0.00000 0.50000 0.00000 1.00000
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