In4PdRh3
Alexandria ALEXAlex-ID: agm016400477 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C4_671_spg12
InPd InRh
2024-12-04 09:33:18
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm016400477).
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 agm016400477
data_agm016400477
_cell_length_a 7.65986
_cell_length_b 7.65986
_cell_length_c 7.65986
_cell_angle_alpha 146.34943
_cell_angle_beta 146.34943
_cell_angle_gamma 48.32803
_cell_volume 137.42219
_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
In1 In 0.87335 0.37335 0.50000 1.00000
In2 In 0.12665 0.62665 0.50000 1.00000
In3 In 0.62665 0.12665 0.50000 1.00000
In4 In 0.37335 0.87335 0.50000 1.00000
Pd1 Pd 0.50000 0.50000 0.00000 1.00000
Rh1 Rh 0.00000 0.00000 0.00000 1.00000
Rh2 Rh 0.75175 0.75175 0.00000 1.00000
Rh3 Rh 0.24825 0.24825 0.00000 1.00000
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