Mg3Ga2Ir3
Alexandria ALEXAlex-ID: agm003328601 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C3_1_spg12
Mg3(GaIr)2 MgGa2Ir3 Mg2GaIr2
2022-01-22 21:00:38.013745
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003328601).
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 agm003328601
data_agm003328601
_cell_length_a 3.68486
_cell_length_b 4.11315
_cell_length_c 8.62048
_cell_angle_alpha 103.80208
_cell_angle_beta 102.34085
_cell_angle_gamma 90.00000
_cell_volume 123.77154
_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
Mg1 Mg 0.61907 0.61907 0.23815 1.00000
Mg2 Mg 0.38093 0.38093 0.76185 1.00000
Mg3 Mg 0.50000 0.00000 0.00000 1.00000
Ga1 Ga 0.75144 0.25144 0.50288 1.00000
Ga2 Ga 0.24856 0.74856 0.49712 1.00000
Ir1 Ir 0.14063 0.14063 0.28126 1.00000
Ir2 Ir 0.00000 0.50000 0.00000 1.00000
Ir3 Ir 0.85937 0.85937 0.71874 1.00000
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