Rb2H7Ir
Alexandria ALEXAlex-ID: agm006201627 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C7_879_spg42
Rb2H7Ir
2023-12-02 06:58:27
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006201627).
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 agm006201627
data_agm006201627
_cell_length_a 6.24183
_cell_length_b 6.21986
_cell_length_c 6.25594
_cell_angle_alpha 96.68354
_cell_angle_beta 56.53727
_cell_angle_gamma 124.05724
_cell_volume 161.22904
_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 0.88462 0.48711 0.26682 1.00000
H2 H 0.74940 0.04166 0.95696 1.00000
H3 H 0.28803 0.56333 0.94016 1.00000
H4 H 0.18146 0.29337 0.77518 1.00000
H5 H 0.92171 0.12514 0.22993 1.00000
H6 H 0.52862 0.13901 0.27499 1.00000
H7 H 0.91833 0.48778 0.87176 1.00000
Ir1 Ir 0.92072 0.30622 0.04988 1.00000
Rb1 Rb 0.42095 0.05737 0.79994 1.00000
Rb2 Rb 0.41856 0.55639 0.30254 1.00000
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