La3(PaRu2)2
Alexandria ALEXAlex-ID: agm005659380 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_540_spg15
La2PaRu2 La2PaRu3 PaRu
2023-06-28 04:29:33.245292
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005659380).
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 agm005659380
data_agm005659380
_cell_length_a 7.42023
_cell_length_b 7.42027
_cell_length_c 8.66870
_cell_angle_alpha 104.19211
_cell_angle_beta 104.19165
_cell_angle_gamma 89.25486
_cell_volume 448.04597
_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 0.97207 0.74941 0.83952 1.00000
La2 La 0.25059 0.02793 0.66048 1.00000
La3 La 0.02793 0.25059 0.16048 1.00000
La4 La 0.74941 0.97207 0.33952 1.00000
La5 La 0.25007 0.74993 0.25000 1.00000
La6 La 0.74993 0.25007 0.75000 1.00000
Pa1 Pa 0.70411 0.50430 0.44772 1.00000
Pa2 Pa 0.49570 0.29587 0.05228 1.00000
Pa3 Pa 0.29589 0.49570 0.55228 1.00000
Pa4 Pa 0.50430 0.70413 0.94772 1.00000
Ru1 Ru 0.00346 0.67153 0.44372 1.00000
Ru2 Ru 0.32848 0.99654 0.05628 1.00000
Ru3 Ru 0.99654 0.32847 0.55628 1.00000
Ru4 Ru 0.67152 0.00346 0.94372 1.00000
Ru5 Ru 0.76194 0.55762 0.10579 1.00000
Ru6 Ru 0.44238 0.23807 0.39422 1.00000
Ru7 Ru 0.23806 0.44238 0.89421 1.00000
Ru8 Ru 0.55762 0.76193 0.60578 1.00000
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