AlGaH6Rh
Alexandria ALEXAlex-ID: agm007664797 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD6_706_spg1
GaH6 AlRh
2024-02-08 09:23:19
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007664797).
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 agm007664797
data_agm007664797
_cell_length_a 4.60608
_cell_length_b 4.78353
_cell_length_c 4.33544
_cell_angle_alpha 98.78830
_cell_angle_beta 117.08211
_cell_angle_gamma 83.70992
_cell_volume 83.96490
_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 0.35881 0.48199 0.25036 1.00000
Ga1 Ga 0.77540 0.95678 0.56344 1.00000
H1 H 0.38868 0.58154 0.70560 1.00000
H2 H 0.85394 0.69909 0.26035 1.00000
H3 H 0.94563 0.59545 0.79585 1.00000
H4 H 0.36533 0.84277 0.29779 1.00000
H5 H 0.05970 0.22932 0.20002 1.00000
H6 H 0.51487 0.20184 0.00365 1.00000
Rh1 Rh 0.73782 0.41113 0.92309 1.00000
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