Nb2CoRu3
Alexandria ALEXAlex-ID: agm005661973 · Space group: I4_1/amd (#141)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_620_spg227
NbCoRu Nb3Ru5 Ru
2023-08-17 11:38:40.952627
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005661973).
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 agm005661973
data_agm005661973
_cell_length_a 7.92153
_cell_length_b 7.92153
_cell_length_c 8.32901
_cell_angle_alpha 118.39440
_cell_angle_beta 118.39440
_cell_angle_gamma 90.00000
_cell_volume 386.80634
_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 0.90838 0.70052 0.81676 1.00000
Nb2 Nb 0.34162 0.63376 0.68324 1.00000
Nb3 Nb 0.29948 0.09162 0.18324 1.00000
Nb4 Nb 0.36624 0.65838 0.31676 1.00000
Nb5 Nb 0.88376 0.09162 0.18324 1.00000
Nb6 Nb 0.95052 0.65838 0.31676 1.00000
Nb7 Nb 0.34162 0.04948 0.68324 1.00000
Nb8 Nb 0.90838 0.11624 0.81676 1.00000
Co1 Co 0.26421 0.26421 0.52841 1.00000
Co2 Co 0.73579 0.73579 0.47159 1.00000
Co3 Co 0.51421 0.01421 0.02841 1.00000
Co4 Co 0.98579 0.48579 0.97159 1.00000
Ru1 Ru 0.30378 0.69622 0.00000 1.00000
Ru2 Ru 0.12500 0.87500 0.25000 1.00000
Ru3 Ru 0.12500 0.37500 0.25000 1.00000
Ru4 Ru 0.69622 0.69622 0.00000 1.00000
Ru5 Ru 0.69622 0.30378 1.00000 1.00000
Ru6 Ru 0.94622 0.44622 0.50000 1.00000
Ru7 Ru 0.62500 0.87500 0.75000 1.00000
Ru8 Ru 0.12500 0.87500 0.75000 1.00000
Ru9 Ru 0.55378 0.05378 0.50000 1.00000
Ru10 Ru 0.55378 0.44622 0.50000 1.00000
Ru11 Ru 0.30378 0.30378 1.00000 1.00000
Ru12 Ru 0.94622 0.05378 0.50000 1.00000
