Zr6ReRh5
Alexandria ALEXAlex-ID: agm006114610 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_55_spg71
Zr2ReRh ZrRh
2023-09-13 09:11:51.214629
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006114610).
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
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm006114610
data_agm006114610
_cell_length_a 4.67315
_cell_length_b 6.60715
_cell_length_c 8.08201
_cell_angle_alpha 114.12684
_cell_angle_beta 106.80469
_cell_angle_gamma 89.99972
_cell_volume 216.01376
_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
Re1 Re 0.00000 0.00000 0.00000 1.00000
Rh1 Rh 0.33461 0.83461 0.66923 1.00000
Rh2 Rh 0.67058 0.67058 0.34116 1.00000
Rh3 Rh 0.00000 0.50000 0.00000 1.00000
Rh4 Rh 0.32942 0.32942 0.65884 1.00000
Rh5 Rh 0.66539 0.16539 0.33077 1.00000
Zr1 Zr 0.16550 0.41513 0.33103 1.00000
Zr2 Zr 0.16552 0.91590 0.33103 1.00000
Zr3 Zr 0.49999 0.24885 0.00000 1.00000
Zr4 Zr 0.50001 0.75115 1.00000 1.00000
Zr5 Zr 0.83448 0.08410 0.66897 1.00000
Zr6 Zr 0.83450 0.58487 0.66897 1.00000
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