La3PrRu2
Alexandria ALEXAlex-ID: agm005691772 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_1099_spg12
La2Ru La5Ru3 Pr7Ru3
2023-08-24 15:44:51.514627
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005691772).
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 agm005691772
data_agm005691772
_cell_length_a 4.95449
_cell_length_b 8.62465
_cell_length_c 11.11596
_cell_angle_alpha 50.01138
_cell_angle_beta 77.12324
_cell_angle_gamma 73.30792
_cell_volume 348.11713
_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
La1 La 0.06219 0.06376 0.81186 1.00000
La2 La 0.93781 0.93624 0.18814 1.00000
La3 La 0.68730 0.68675 0.93864 1.00000
La4 La 0.31270 0.31325 0.06136 1.00000
La5 La 0.81256 0.81191 0.56296 1.00000
La6 La 0.18744 0.18809 0.43704 1.00000
Pr1 Pr 0.43766 0.43812 0.68655 1.00000
Pr2 Pr 0.56234 0.56188 0.31345 1.00000
Ru1 Ru 0.87432 0.37326 0.87811 1.00000
Ru2 Ru 0.12568 0.62674 0.12189 1.00000
Ru3 Ru 0.62679 0.11960 0.62681 1.00000
Ru4 Ru 0.37321 0.88040 0.37319 1.00000
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