AlH4Rh
Alexandria ALEXAlex-ID: agm007205901 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_4199_spg2
H2 AlRh
2024-01-27 13:48:21.064499
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007205901).
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 agm007205901
data_agm007205901
_cell_length_a 4.50566
_cell_length_b 4.55707
_cell_length_c 6.22711
_cell_angle_alpha 89.31321
_cell_angle_beta 110.72826
_cell_angle_gamma 120.26329
_cell_volume 101.07096
_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 0.94885 0.67655 0.65622 1.00000
Al2 Al 0.05115 0.32345 0.34378 1.00000
H1 H 0.29203 0.41564 0.12384 1.00000
H2 H 0.68754 0.94590 0.10280 1.00000
H3 H 0.70797 0.58436 0.87616 1.00000
H4 H 0.32952 0.20634 0.58288 1.00000
H5 H 0.67048 0.79366 0.41712 1.00000
H6 H 0.14914 0.80105 0.21529 1.00000
H7 H 0.85086 0.19895 0.78471 1.00000
H8 H 0.31246 0.05410 0.89720 1.00000
Rh1 Rh 0.50000 0.00000 0.50000 1.00000
Rh2 Rh 0.00000 0.00000 0.00000 1.00000
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