H6IrRh
Alexandria ALEXAlex-ID: agm080897773 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC6_150_spg146
H2 Ir H8Rh3
2025-06-26 18:13:04
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm080897773).
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 agm080897773
data_agm080897773
_cell_length_a 5.00873
_cell_length_b 4.51667
_cell_length_c 3.13337
_cell_angle_alpha 69.48993
_cell_angle_beta 71.25974
_cell_angle_gamma 70.23203
_cell_volume 60.80365
_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
H1 H 0.06134 0.70558 0.99290 1.00000
H2 H 0.93572 0.26973 0.77348 1.00000
H3 H 0.63018 0.08763 0.51223 1.00000
H4 H 0.36642 0.13907 0.12134 1.00000
H5 H 0.54226 0.64489 0.77911 1.00000
H6 H 0.26039 0.44215 0.52461 1.00000
Ir1 Ir 0.29467 0.01926 0.71879 1.00000
Rh1 Rh 0.90902 0.69169 0.57754 1.00000
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