Ta3Pd2Rh3
Alexandria ALEXAlex-ID: agm009241102 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C3_213_spg12
TaPd2 Ta3Rh TaRh2
2024-03-07 15:25:36.754136
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009241102).
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 agm009241102
data_agm009241102
_cell_length_a 8.70106
_cell_length_b 8.70106
_cell_length_c 8.70106
_cell_angle_alpha 154.63733
_cell_angle_beta 153.50726
_cell_angle_gamma 37.00286
_cell_volume 125.69527
_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 0.87044 0.37044 0.50000 1.00000
Ta2 Ta 0.50000 0.50000 0.00000 1.00000
Ta3 Ta 0.12956 0.62956 0.50000 1.00000
Pd1 Pd 0.75057 0.75057 0.00000 1.00000
Pd2 Pd 0.24943 0.24943 0.00000 1.00000
Rh1 Rh 0.37791 0.87791 0.50000 1.00000
Rh2 Rh 0.62209 0.12209 0.50000 1.00000
Rh3 Rh 0.00000 0.00000 0.00000 1.00000
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