YNb5Ru6
Alexandria ALEXAlex-ID: agm006136331 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_47_spg65
YNbRu2 Nb3Ru5 Nb5Ru3
2023-09-12 07:04:38.484100
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006136331).
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 agm006136331
data_agm006136331
_cell_length_a 4.43475
_cell_length_b 6.82362
_cell_length_c 7.02216
_cell_angle_alpha 89.99998
_cell_angle_beta 108.38365
_cell_angle_gamma 89.99994
_cell_volume 201.65329
_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 0.00000 0.00000 0.00000 1.00000
Ru1 Ru 0.82935 0.72441 0.65874 1.00000
Ru2 Ru 0.82935 0.27559 0.65874 1.00000
Ru3 Ru 0.50000 0.27052 0.00000 1.00000
Ru4 Ru 0.50000 0.72948 1.00000 1.00000
Ru5 Ru 0.17065 0.72441 0.34126 1.00000
Ru6 Ru 0.17065 0.27559 0.34126 1.00000
Nb1 Nb 0.66568 0.50000 0.33131 1.00000
Nb2 Nb 0.32086 0.00000 0.63949 1.00000
Nb3 Nb 0.00000 0.50000 0.00000 1.00000
Nb4 Nb 0.67914 1.00000 0.36051 1.00000
Nb5 Nb 0.33432 0.50000 0.66869 1.00000
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