Tm4IrPdRh2
Alexandria ALEXAlex-ID: agm040489755 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D4_43_spg5
Tm6IrRh5 Tm8Ir3Pd4Rh TmRh
2025-02-06 10:40:28
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm040489755).
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 agm040489755
data_agm040489755
_cell_length_a 8.30947
_cell_length_b 8.30947
_cell_length_c 8.30947
_cell_angle_alpha 33.68290
_cell_angle_beta 33.68290
_cell_angle_gamma 33.68290
_cell_volume 157.21935
_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
Tm1 Tm 0.62680 0.62680 0.62680 1.00000
Tm2 Tm 0.12331 0.12331 0.12331 1.00000
Tm3 Tm 0.87669 0.87669 0.87669 1.00000
Tm4 Tm 0.37320 0.37320 0.37320 1.00000
Ir1 Ir 0.00000 0.00000 0.00000 1.00000
Pd1 Pd 0.50000 0.50000 0.50000 1.00000
Rh1 Rh 0.24904 0.24904 0.24904 1.00000
Rh2 Rh 0.75096 0.75096 0.75096 1.00000
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