Ta2FeRh2
Alexandria ALEXAlex-ID: agm002372005 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2_2_spg71
Ta3Rh Ta6Fe7 TaRh2
2023-03-25 13:40:02.855047
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002372005).
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 agm002372005
data_agm002372005
_cell_length_a 4.16943
_cell_length_b 4.98074
_cell_length_c 4.98082
_cell_angle_alpha 63.28428
_cell_angle_beta 65.46035
_cell_angle_gamma 65.45994
_cell_volume 80.65336
_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
Rh1 Rh 0.50000 0.25931 0.74069 1.00000
Rh2 Rh 0.50000 0.74069 0.25931 1.00000
Fe1 Fe 0.00000 0.00000 0.00000 1.00000
Ta1 Ta 0.80540 0.69565 0.69566 1.00000
Ta2 Ta 0.19460 0.30435 0.30434 1.00000
