Y3(PaRu2)2
Alexandria ALEXAlex-ID: agm005594957 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_1268_spg15
Y2PaRu3 Y2PaRu2 PaRu
2023-06-29 08:46:59.894136
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005594957).
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 agm005594957
data_agm005594957
_cell_length_a 6.80317
_cell_length_b 6.80316
_cell_length_c 9.19640
_cell_angle_alpha 90.83864
_cell_angle_beta 90.84064
_cell_angle_gamma 103.88038
_cell_volume 413.09150
_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
Y1 Y 0.94312 0.64520 0.85650 1.00000
Y2 Y 0.35480 0.05688 0.64351 1.00000
Y3 Y 0.05688 0.35480 0.14350 1.00000
Y4 Y 0.64520 0.94312 0.35649 1.00000
Y5 Y 0.11467 0.88533 0.25001 1.00000
Y6 Y 0.88533 0.11467 0.74999 1.00000
Pa1 Pa 0.74649 0.46364 0.45989 1.00000
Pa2 Pa 0.53636 0.25351 0.04011 1.00000
Pa3 Pa 0.25351 0.53636 0.54011 1.00000
Pa4 Pa 0.46364 0.74649 0.95989 1.00000
Ru1 Ru 0.97602 0.78094 0.54817 1.00000
Ru2 Ru 0.21906 0.02398 0.95184 1.00000
Ru3 Ru 0.02398 0.21906 0.45183 1.00000
Ru4 Ru 0.78094 0.97602 0.04816 1.00000
Ru5 Ru 0.70652 0.57112 0.15711 1.00000
Ru6 Ru 0.42888 0.29348 0.34289 1.00000
Ru7 Ru 0.29348 0.42888 0.84289 1.00000
Ru8 Ru 0.57112 0.70652 0.65711 1.00000
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