Ga6CuIr5
Alexandria ALEXAlex-ID: agm006136451 · Space group: P2/m (#10)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_124_spg10
Ga5Ir3 Ga5CuIr6 Cu
2023-08-25 23:39:34.777602
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006136451).
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 agm006136451
data_agm006136451
_cell_length_a 4.44953
_cell_length_b 5.83196
_cell_length_c 6.74799
_cell_angle_alpha 89.99918
_cell_angle_beta 100.51146
_cell_angle_gamma 90.00031
_cell_volume 172.16800
_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
Ir1 Ir 0.65707 0.50000 0.32487 1.00000
Ir2 Ir 0.31383 0.99999 0.67722 1.00000
Ir3 Ir 0.00000 0.50000 0.00000 1.00000
Ir4 Ir 0.68617 0.00001 0.32278 1.00000
Ir5 Ir 0.34293 0.50000 0.67513 1.00000
Cu1 Cu 0.00000 0.00000 0.00000 1.00000
Ga1 Ga 0.82513 0.74626 0.66083 1.00000
Ga2 Ga 0.82514 0.25375 0.66086 1.00000
Ga3 Ga 0.49999 0.24954 0.00000 1.00000
Ga4 Ga 0.50001 0.75046 1.00000 1.00000
Ga5 Ga 0.17486 0.74625 0.33914 1.00000
Ga6 Ga 0.17487 0.25374 0.33917 1.00000
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