Ta2Nb8Rh
Alexandria ALEXAlex-ID: agm048553577 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C8_154_spg12
TaNb6Rh Nb15Rh Ta4Nb4Rh
2024-12-22 12:01:58
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm048553577).
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
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# CIF generated by HEAS from Alexandria entry agm048553577
data_agm048553577
_cell_length_a 7.99798
_cell_length_b 7.99798
_cell_length_c 5.44741
_cell_angle_alpha 89.69962
_cell_angle_beta 90.30038
_cell_angle_gamma 145.68383
_cell_volume 196.44341
_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
Ta1 Ta 0.22583 0.77417 0.63561 1.00000
Ta2 Ta 0.77417 0.22583 0.36439 1.00000
Nb1 Nb 0.59025 0.40975 0.45154 1.00000
Nb2 Nb 0.31882 0.68118 0.09416 1.00000
Nb3 Nb 0.13581 0.86419 0.18045 1.00000
Nb4 Nb 0.04416 0.95584 0.72893 1.00000
Nb5 Nb 0.86419 0.13581 0.81955 1.00000
Nb6 Nb 0.68118 0.31882 0.90584 1.00000
Nb7 Nb 0.40975 0.59025 0.54846 1.00000
Nb8 Nb 0.95584 0.04416 0.27107 1.00000
Rh1 Rh 0.50000 0.50000 0.00000 1.00000
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