Zn2Ir5Rh4
Alexandria ALEXAlex-ID: agm005676384 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B4C5_523_spg12
Ir5Rh2 ZnRh
2023-06-22 20:51:04.941681
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005676384).
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 agm005676384
data_agm005676384
_cell_length_a 2.73545
_cell_length_b 8.57097
_cell_length_c 8.20292
_cell_angle_alpha 77.50563
_cell_angle_beta 120.03516
_cell_angle_gamma 108.63202
_cell_volume 157.39635
_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
Zn1 Zn 0.31361 0.54501 0.17923 1.00000
Zn2 Zn 0.68639 0.45499 0.82077 1.00000
Ir1 Ir 0.77170 0.17958 0.72796 1.00000
Ir2 Ir 0.22830 0.82042 0.27204 1.00000
Ir3 Ir 0.94543 0.63730 0.53891 1.00000
Ir4 Ir 0.50000 0.00000 0.00000 1.00000
Ir5 Ir 0.05457 0.36270 0.46109 1.00000
Rh1 Rh 0.14017 0.09366 0.36469 1.00000
Rh2 Rh 0.41072 0.27423 0.09101 1.00000
Rh3 Rh 0.85983 0.90634 0.63531 1.00000
Rh4 Rh 0.58928 0.72577 0.90899 1.00000
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