Pr2RuC2
Alexandria ALEXAlex-ID: agm003405271 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2_44_spg12
Pr5Ru2 Pr7Ru4C9 PrC
2022-02-09 22:40:57.312730
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003405271).
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 agm003405271
data_agm003405271
_cell_length_a 5.37743
_cell_length_b 6.34804
_cell_length_c 6.90983
_cell_angle_alpha 63.31084
_cell_angle_beta 67.10059
_cell_angle_gamma 64.94105
_cell_volume 185.05378
_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 0.68326 0.25522 0.37825 1.00000
Pr2 Pr 0.31674 0.74478 0.62175 1.00000
Pr3 Pr 0.03694 0.71025 0.21588 1.00000
Pr4 Pr 0.96306 0.28975 0.78412 1.00000
Ru1 Ru 0.36649 0.13685 0.13017 1.00000
Ru2 Ru 0.63351 0.86315 0.86983 1.00000
C1 C 0.18133 0.24466 0.39268 1.00000
C2 C 0.81867 0.75534 0.60732 1.00000
C3 C 0.49110 0.22714 0.79065 1.00000
C4 C 0.50890 0.77286 0.20935 1.00000
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