Dy2PaRu3
Alexandria ALEXAlex-ID: agm018993424 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_229_spg2
Dy2PaRu3
2025-04-15 08:58:40
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm018993424).
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
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# CIF generated by HEAS from Alexandria entry agm018993424
data_agm018993424
_cell_length_a 7.63411
_cell_length_b 7.63411
_cell_length_c 6.81235
_cell_angle_alpha 89.83678
_cell_angle_beta 90.16322
_cell_angle_gamma 142.69549
_cell_volume 240.61409
_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
Dy1 Dy 0.00000 0.00000 0.00000 1.00000
Dy2 Dy 0.00000 0.00000 0.50000 1.00000
Dy3 Dy 0.66480 0.33520 0.49991 1.00000
Dy4 Dy 0.33520 0.66480 0.50009 1.00000
Pa1 Pa 0.66433 0.33567 0.00015 1.00000
Pa2 Pa 0.33567 0.66433 0.99985 1.00000
Ru1 Ru 0.17330 0.82670 0.77290 1.00000
Ru2 Ru 0.49948 0.50052 0.23375 1.00000
Ru3 Ru 0.82670 0.17330 0.22710 1.00000
Ru4 Ru 0.17316 0.82684 0.22731 1.00000
Ru5 Ru 0.82684 0.17316 0.77269 1.00000
Ru6 Ru 0.50052 0.49948 0.76625 1.00000
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