NaYb9Ru2
Alexandria ALEXAlex-ID: agm101737482 · Space group: P6/mmm (#191)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C9_8_spg191
Yb3Ru Na Yb
2025-05-20 10:14:48
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm101737482).
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 agm101737482
data_agm101737482
_cell_length_a 10.41731
_cell_length_b 10.41731
_cell_length_c 4.25502
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 120.00000
_cell_volume 399.89255
_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
Na1 Na 0.00000 0.00000 0.00000 1.00000
Yb1 Yb 0.21777 0.78223 0.50000 1.00000
Yb2 Yb 0.00000 0.50000 0.00000 1.00000
Yb3 Yb 0.50000 0.50000 0.00000 1.00000
Yb4 Yb 0.21777 0.43554 0.50000 1.00000
Yb5 Yb 0.78223 0.21777 0.50000 1.00000
Yb6 Yb 0.43554 0.21777 0.50000 1.00000
Yb7 Yb 0.78223 0.56446 0.50000 1.00000
Yb8 Yb 0.50000 0.00000 0.00000 1.00000
Yb9 Yb 0.56446 0.78223 0.50000 1.00000
Ru1 Ru 0.33333 0.66667 0.00000 1.00000
Ru2 Ru 0.66667 0.33333 0.00000 1.00000
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