H7Ir2Rh
Alexandria ALEXAlex-ID: agm006201563 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C7_484_spg166
H2 Ir H8Rh3
2023-12-02 19:46:14
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006201563).
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 agm006201563
data_agm006201563
_cell_length_a 4.64530
_cell_length_b 5.79884
_cell_length_c 4.67899
_cell_angle_alpha 54.16264
_cell_angle_beta 59.49220
_cell_angle_gamma 57.48793
_cell_volume 82.66061
_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 0.50000 0.50000 0.50000 1.00000
H2 H 0.97813 0.23256 0.35907 1.00000
H3 H 0.61308 0.27716 0.16757 1.00000
H4 H 0.38692 0.72284 0.83243 1.00000
H5 H 0.82667 0.70213 0.29438 1.00000
H6 H 0.17333 0.29787 0.70562 1.00000
H7 H 0.02187 0.76744 0.64093 1.00000
Ir1 Ir 0.62367 0.11198 0.60988 1.00000
Ir2 Ir 0.37633 0.88802 0.39012 1.00000
Rh1 Rh 0.00000 0.00000 0.00000 1.00000
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