Nb3RuW2
Alexandria ALEXAlex-ID: agm005708399 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_2157_spg65
NbW3 Nb5Ru2W
2023-08-29 17:43:40.097693
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005708399).
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 agm005708399
data_agm005708399
_cell_length_a 4.56611
_cell_length_b 7.21172
_cell_length_c 6.44018
_cell_angle_alpha 90.00132
_cell_angle_beta 90.00416
_cell_angle_gamma 71.54407
_cell_volume 201.16438
_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 0.83320 0.33400 0.74998 1.00000
Nb2 Nb 0.49987 0.00000 0.24992 1.00000
Nb3 Nb 0.16680 0.66600 0.25002 1.00000
Nb4 Nb 0.83280 0.33400 0.25002 1.00000
Nb5 Nb 0.16720 0.66600 0.74998 1.00000
Nb6 Nb 0.50013 1.00000 0.75008 1.00000
Ru1 Ru 0.33287 0.33426 0.00000 1.00000
Ru2 Ru 0.66713 0.66574 0.00000 1.00000
W1 W 0.00000 0.00000 0.00000 1.00000
W2 W 0.00000 0.00000 0.50000 1.00000
W3 W 0.33261 0.33478 0.50000 1.00000
W4 W 0.66739 0.66522 0.50000 1.00000
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