Na2Nb2Ru15
Alexandria ALEXAlex-ID: agm008643133 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C15_32_spg166
Nb3Ru5 Na Ru
2024-07-10 22:34:45.165895
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm008643133).
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 agm008643133
data_agm008643133
_cell_length_a 6.76952
_cell_length_b 6.76952
_cell_length_c 6.76952
_cell_angle_alpha 82.99714
_cell_angle_beta 82.99714
_cell_angle_gamma 82.99714
_cell_volume 303.80220
_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 0.09046 0.09046 0.09046 1.00000
Na2 Na 0.90954 0.90954 0.90954 1.00000
Nb1 Nb 0.35746 0.35746 0.35746 1.00000
Nb2 Nb 0.64254 0.64254 0.64254 1.00000
Ru1 Ru 0.50000 0.00000 0.00000 1.00000
Ru2 Ru 0.00000 0.00000 0.50000 1.00000
Ru3 Ru 0.00000 0.50000 0.00000 1.00000
Ru4 Ru 0.00000 0.63785 0.36215 1.00000
Ru5 Ru 0.63785 0.36215 0.00000 1.00000
Ru6 Ru 0.36215 0.00000 0.63785 1.00000
Ru7 Ru 0.36215 0.63785 0.00000 1.00000
Ru8 Ru 0.63785 0.00000 0.36215 1.00000
Ru9 Ru 0.00000 0.36215 0.63785 1.00000
Ru10 Ru 0.20470 0.67547 0.67547 1.00000
Ru11 Ru 0.67547 0.67547 0.20470 1.00000
Ru12 Ru 0.67547 0.20470 0.67547 1.00000
Ru13 Ru 0.79530 0.32453 0.32453 1.00000
Ru14 Ru 0.32453 0.32453 0.79530 1.00000
Ru15 Ru 0.32453 0.79530 0.32453 1.00000
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