Nb6Ru3Rh
Alexandria ALEXAlex-ID: agm003579752 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C6_353_spg14
Nb2Ru NbRh2 Nb6Ru5Rh
2022-03-30 01:04:12.937705
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003579752).
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 agm003579752
data_agm003579752
_cell_length_a 7.52724
_cell_length_b 5.46004
_cell_length_c 8.54201
_cell_angle_alpha 90.00000
_cell_angle_beta 89.12446
_cell_angle_gamma 90.00000
_cell_volume 351.02756
_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
Nb1 Nb 0.66382 0.08446 0.93139 1.00000
Nb2 Nb 0.66696 0.08071 0.56380 1.00000
Nb3 Nb 0.80487 0.30393 0.25006 1.00000
Nb4 Nb 0.19513 0.69607 0.74994 1.00000
Nb5 Nb 0.33304 0.91929 0.43620 1.00000
Nb6 Nb 0.33618 0.91554 0.06861 1.00000
Nb7 Nb 0.16382 0.41554 0.43139 1.00000
Nb8 Nb 0.16696 0.41929 0.06380 1.00000
Nb9 Nb 0.30487 0.19607 0.75006 1.00000
Nb10 Nb 0.69513 0.80393 0.24994 1.00000
Nb11 Nb 0.83304 0.58071 0.93620 1.00000
Nb12 Nb 0.83618 0.58446 0.56861 1.00000
Ru1 Ru 0.54211 0.76121 0.75167 1.00000
Ru2 Ru 0.50000 0.50000 0.00000 1.00000
Ru3 Ru 0.45789 0.23879 0.24833 1.00000
Ru4 Ru 0.04211 0.73879 0.25167 1.00000
Ru5 Ru 0.00000 0.00000 0.50000 1.00000
Ru6 Ru 0.95789 0.26121 0.74833 1.00000
Rh1 Rh 0.50000 0.50000 0.50000 1.00000
Rh2 Rh 0.00000 0.00000 0.00000 1.00000
