AcGa3Rh
Alexandria ALEXAlex-ID: agm070509802 · Space group: I4mm (#107)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_4_spg107
AcGa3Rh
2024-07-21 08:41:46.168680
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm070509802).
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 agm070509802
data_agm070509802
_cell_length_a 6.21129
_cell_length_b 6.21129
_cell_length_c 6.21129
_cell_angle_alpha 138.19891
_cell_angle_beta 138.19891
_cell_angle_gamma 60.59849
_cell_volume 105.32673
_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
Ac1 Ac 0.19955 0.19955 0.00000 1.00000
Ga1 Ga 0.94797 0.44797 0.50000 1.00000
Ga2 Ga 0.44797 0.94797 0.50000 1.00000
Ga3 Ga 0.59805 0.59805 0.00000 1.00000
Rh1 Rh 0.83167 0.83167 0.00000 1.00000
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