Ta2Nb6Rh
Alexandria ALEXAlex-ID: agm005690984 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_1964_spg12
TaNb6Rh Nb15Rh Ta4Nb4Rh
2023-07-08 20:20:57.262612
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005690984).
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 agm005690984
data_agm005690984
_cell_length_a 4.77816
_cell_length_b 5.20296
_cell_length_c 7.59936
_cell_angle_alpha 69.98116
_cell_angle_beta 82.06685
_cell_angle_gamma 66.22334
_cell_volume 162.44339
_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 0.50000 0.83459 0.83083 1.00000
Ta2 Ta 0.50000 0.16541 0.16917 1.00000
Nb1 Nb 0.16584 0.82534 0.17682 1.00000
Nb2 Nb 0.83416 0.49784 0.17682 1.00000
Nb3 Nb 0.83416 0.17466 0.82318 1.00000
Nb4 Nb 0.16584 0.50216 0.82318 1.00000
Nb5 Nb 0.33334 0.32852 0.50000 1.00000
Nb6 Nb 0.66666 0.67148 0.50000 1.00000
Rh1 Rh 0.00000 0.00000 0.50000 1.00000
Get direct link