NdTaNbRu2
Alexandria ALEXAlex-ID: agm005020249 · Space group: I-4m2 (#119)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD2_3_spg107
TaNbRu NdTa2Ru3 Nb3Ru Nd7Ru3
2022-07-04 16:05:40.567063
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005020249).
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 agm005020249
data_agm005020249
_cell_length_a 4.39612
_cell_length_b 4.39612
_cell_length_c 6.21109
_cell_angle_alpha 110.72559
_cell_angle_beta 110.72559
_cell_angle_gamma 90.00000
_cell_volume 103.91978
_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
Nd1 Nd 0.00000 0.00000 0.00000 1.00000
Ta1 Ta 0.25000 0.75000 0.50000 1.00000
Nb1 Nb 0.75000 0.25000 0.50000 1.00000
Ru1 Ru 0.62174 0.62174 0.24348 1.00000
Ru2 Ru 0.37826 0.37826 0.75652 1.00000
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