Ho8Zn4PdRh3
Alexandria ALEXAlex-ID: agm045654427 · Space group: P4/mmm (#123)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C4D8_71_spg123
Ho3Zn2Rh Ho2ZnRh2 Ho5Rh3 HoPd
2025-02-26 06:41:49
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm045654427).
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 agm045654427
data_agm045654427
_cell_length_a 6.99746
_cell_length_b 6.99746
_cell_length_c 6.96687
_cell_angle_alpha 89.99807
_cell_angle_beta 90.00193
_cell_angle_gamma 89.99954
_cell_volume 341.12875
_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
Ho1 Ho 0.50555 0.49445 0.49178 1.00000
Ho2 Ho 0.50552 0.99988 0.49184 1.00000
Ho3 Ho 0.50587 0.49413 0.01635 1.00000
Ho4 Ho 0.00012 0.49448 0.49184 1.00000
Ho5 Ho 0.50588 0.00005 0.01648 1.00000
Ho6 Ho 0.00011 0.99989 0.49166 1.00000
Ho7 Ho 0.99995 0.49412 0.01648 1.00000
Ho8 Ho 0.99999 0.00001 0.01637 1.00000
Zn1 Zn 0.75308 0.24692 0.75345 1.00000
Zn2 Zn 0.75307 0.74703 0.75430 1.00000
Zn3 Zn 0.25297 0.24693 0.75430 1.00000
Zn4 Zn 0.25300 0.74700 0.75483 1.00000
Pd1 Pd 0.25292 0.74708 0.25332 1.00000
Rh1 Rh 0.75283 0.74706 0.25381 1.00000
Rh2 Rh 0.75287 0.24713 0.25541 1.00000
Rh3 Rh 0.25294 0.24717 0.25381 1.00000
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