Ga4Ir3Rh
Alexandria ALEXAlex-ID: agm016200232 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C4_344_spg139
Ga3Ir2Rh GaIr
2025-03-25 05:53:07
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm016200232).
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 agm016200232
data_agm016200232
_cell_length_a 6.80751
_cell_length_b 6.80751
_cell_length_c 6.80751
_cell_angle_alpha 142.93689
_cell_angle_beta 142.93689
_cell_angle_gamma 53.42003
_cell_volume 113.86759
_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
Ga1 Ga 0.87604 0.37604 0.50000 1.00000
Ga2 Ga 0.12396 0.62396 0.50000 1.00000
Ga3 Ga 0.62396 0.12396 0.50000 1.00000
Ga4 Ga 0.37604 0.87604 0.50000 1.00000
Ir1 Ir 0.00000 0.00000 0.00000 1.00000
Ir2 Ir 0.75055 0.75055 0.00000 1.00000
Ir3 Ir 0.24945 0.24945 0.00000 1.00000
Rh1 Rh 0.50000 0.50000 0.00000 1.00000
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