Nb3MoRu2
Alexandria ALEXAlex-ID: agm017605542 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_1840_spg65
Nb5Ru3 Nb2MoRu Nb3Ru5
2025-04-15 06:58:41
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017605542).
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 agm017605542
data_agm017605542
_cell_length_a 7.15624
_cell_length_b 7.15624
_cell_length_c 6.38225
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 143.14799
_cell_volume 196.02626
_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 0.33196 0.66804 0.75264 1.00000
Nb2 Nb 0.00000 0.00000 0.24712 1.00000
Nb3 Nb 0.66804 0.33196 0.24736 1.00000
Nb4 Nb 0.33196 0.66804 0.24736 1.00000
Nb5 Nb 0.66804 0.33196 0.75264 1.00000
Nb6 Nb 0.00000 0.00000 0.75288 1.00000
Mo1 Mo 0.83468 0.16532 0.00000 1.00000
Mo2 Mo 0.16532 0.83468 0.00000 1.00000
Ru1 Ru 0.50000 0.50000 0.00000 1.00000
Ru2 Ru 0.50000 0.50000 0.50000 1.00000
Ru3 Ru 0.83554 0.16446 0.50000 1.00000
Ru4 Ru 0.16446 0.83554 0.50000 1.00000
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