Ti4FeRh
Alexandria ALEXAlex-ID: agm003738457 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_1912_spg12
Ti2Rh TiFe Ti
2022-04-19 06:59:54.654649
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003738457).
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 agm003738457
data_agm003738457
_cell_length_a 4.34688
_cell_length_b 4.34482
_cell_length_c 6.79641
_cell_angle_alpha 71.40329
_cell_angle_beta 71.34962
_cell_angle_gamma 59.98432
_cell_volume 103.31399
_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
Ti1 Ti 0.63052 0.63056 0.10841 1.00000
Ti2 Ti 0.36948 0.36944 0.89159 1.00000
Ti3 Ti 0.11822 0.11827 0.64529 1.00000
Ti4 Ti 0.88178 0.88173 0.35471 1.00000
Fe1 Fe 0.00000 0.00000 0.00000 1.00000
Rh1 Rh 0.50000 0.50000 0.50000 1.00000
