InH4PdRh2
Alexandria ALEXAlex-ID: agm007493732 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D4_469_spg23
H8Rh3 In(H4Rh)2 InHPd3 InRh
2024-03-05 11:43:08.169149
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007493732).
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 agm007493732
data_agm007493732
_cell_length_a 4.35042
_cell_length_b 4.88852
_cell_length_c 4.75752
_cell_angle_alpha 107.43284
_cell_angle_beta 104.69190
_cell_angle_gamma 111.84524
_cell_volume 81.63063
_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 0.95533 0.48730 0.94435 1.00000
H1 H 0.49955 0.89053 0.79173 1.00000
H2 H 0.82945 0.74821 0.50318 1.00000
H3 H 0.52038 0.23851 0.27255 1.00000
H4 H 0.21578 0.13059 0.51432 1.00000
Pd1 Pd 0.72686 0.92453 0.21553 1.00000
Rh1 Rh 0.41900 0.51287 0.51356 1.00000
Rh2 Rh 0.22070 0.06747 0.85773 1.00000
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