In(H2Rh)3
Alexandria ALEXAlex-ID: agm007693393 · Space group: Pm (#6)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C6_486_spg12
In(H4Rh)2 H8Rh3 InRh
2024-03-21 07:36:42
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007693393).
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 agm007693393
data_agm007693393
_cell_length_a 4.59022
_cell_length_b 4.44721
_cell_length_c 5.84779
_cell_angle_alpha 90.00417
_cell_angle_beta 90.00660
_cell_angle_gamma 131.49339
_cell_volume 89.41561
_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
In1 In 0.42782 0.48501 0.49997 1.00000
H1 H 0.21772 0.55661 1.00000 1.00000
H2 H 0.58507 0.14970 0.76999 1.00000
H3 H 0.01202 0.05510 0.22930 1.00000
H4 H 0.78686 0.63153 1.00000 1.00000
H5 H 0.58512 0.14974 0.23000 1.00000
H6 H 0.01222 0.05521 0.77073 1.00000
Rh1 Rh 0.73891 0.99527 1.00000 1.00000
Rh2 Rh 0.06713 0.71085 0.74722 1.00000
Rh3 Rh 0.06713 0.71097 0.25279 1.00000
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