Al2H3Rh
Alexandria ALEXAlex-ID: agm007649567 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_10_spg63
AlH3 AlRh
2024-02-09 10:48:54
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007649567).
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
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm007649567
data_agm007649567
_cell_length_a 2.84228
_cell_length_b 6.53179
_cell_length_c 7.19577
_cell_angle_alpha 98.75983
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 132.03225
_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
Al1 Al 0.25000 0.36379 0.11670 1.00000
Al2 Al 0.75000 0.63621 0.88330 1.00000
Al3 Al 0.25000 0.88931 0.69294 1.00000
Al4 Al 0.75000 0.11069 0.30706 1.00000
H1 H 0.75000 0.62060 0.26053 1.00000
H2 H 0.25000 0.37940 0.73947 1.00000
H3 H 0.25000 0.82073 0.45190 1.00000
H4 H 0.75000 0.17927 0.54810 1.00000
H5 H 0.75000 0.88314 0.09885 1.00000
H6 H 0.25000 0.11686 0.90115 1.00000
Rh1 Rh 0.25000 0.76366 0.19893 1.00000
Rh2 Rh 0.75000 0.23634 0.80107 1.00000
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