Nb4RuW
Alexandria ALEXAlex-ID: agm070176604 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_634_spg8
Nb5Ru Nb2W5 Nb3Ru
2025-04-16 02:44:21
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm070176604).
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 agm070176604
data_agm070176604
_cell_length_a 5.40220
_cell_length_b 5.40220
_cell_length_c 6.48084
_cell_angle_alpha 72.36030
_cell_angle_beta 107.63970
_cell_angle_gamma 145.08543
_cell_volume 102.64536
_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 0.66373 0.33627 0.83197 1.00000
Nb2 Nb 0.66219 0.33781 0.33080 1.00000
Nb3 Nb 0.33627 0.66373 0.16803 1.00000
Nb4 Nb 0.33781 0.66219 0.66920 1.00000
Ru1 Ru 0.00000 0.00000 0.00000 1.00000
W1 W 0.00000 0.00000 0.50000 1.00000
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