CuTe8PdRh4
Alexandria ALEXAlex-ID: agm061168445 · Space group: F-43m (#216)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4D8_591_spg216
Te4PdRh2 Cu Te2Rh
2024-12-03 01:56:40
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm061168445).
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 agm061168445
data_agm061168445
_cell_length_a 7.87137
_cell_length_b 7.87137
_cell_length_c 7.87137
_cell_angle_alpha 60.00000
_cell_angle_beta 60.00000
_cell_angle_gamma 60.00000
_cell_volume 344.85444
_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
Cu1 Cu 0.25000 0.25000 0.25000 1.00000
Te1 Te 0.84483 0.38506 0.38506 1.00000
Te2 Te 0.38506 0.38506 0.38506 1.00000
Te3 Te 0.38506 0.38506 0.84483 1.00000
Te4 Te 0.38506 0.84483 0.38506 1.00000
Te5 Te 0.40882 0.86373 0.86373 1.00000
Te6 Te 0.86373 0.86373 0.86373 1.00000
Te7 Te 0.86373 0.86373 0.40882 1.00000
Te8 Te 0.86373 0.40882 0.86373 1.00000
Pd1 Pd 0.00000 0.00000 0.00000 1.00000
Rh1 Rh 0.12571 0.62476 0.62476 1.00000
Rh2 Rh 0.62476 0.62476 0.62476 1.00000
Rh3 Rh 0.62476 0.62476 0.12571 1.00000
Rh4 Rh 0.62476 0.12571 0.62476 1.00000
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