Pr5Ru4
Alexandria ALEXAlex-ID: agm003292000 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A4B5_84_spg12
PrRu2 Pr7Ru3
2022-01-17 01:42:45.866345
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003292000).
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 agm003292000
data_agm003292000
_cell_length_a 4.43322
_cell_length_b 5.93335
_cell_length_c 9.89609
_cell_angle_alpha 74.07910
_cell_angle_beta 77.05659
_cell_angle_gamma 68.06309
_cell_volume 230.03150
_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 0.11150 0.17083 0.60618 1.00000
Pr2 Pr 0.88850 0.82917 0.39382 1.00000
Pr3 Pr 0.75903 0.65554 0.82640 1.00000
Pr4 Pr 0.24097 0.34446 0.17360 1.00000
Pr5 Pr 0.00000 0.00000 0.00000 1.00000
Ru1 Ru 0.45384 0.24974 0.84258 1.00000
Ru2 Ru 0.54616 0.75026 0.15742 1.00000
Ru3 Ru 0.41206 0.56129 0.61460 1.00000
Ru4 Ru 0.58794 0.43871 0.38540 1.00000
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