Ga6CoIr5
Alexandria ALEXAlex-ID: agm006133301 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_47_spg65
Ga5Ir3 Co GaIr
2023-08-24 17:55:00.601710
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006133301).
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 agm006133301
data_agm006133301
_cell_length_a 4.31221
_cell_length_b 6.01261
_cell_length_c 6.82126
_cell_angle_alpha 90.00013
_cell_angle_beta 108.35471
_cell_angle_gamma 90.00001
_cell_volume 167.86123
_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 0.66778 0.50001 0.33568 1.00000
Ir2 Ir 0.33361 0.99999 0.66723 1.00000
Ir3 Ir 0.00000 0.50000 0.00000 1.00000
Ir4 Ir 0.66639 0.00001 0.33277 1.00000
Ir5 Ir 0.33222 0.49999 0.66432 1.00000
Co1 Co 0.00000 0.00000 0.00000 1.00000
Ga1 Ga 0.83724 0.75481 0.67436 1.00000
Ga2 Ga 0.83724 0.24518 0.67436 1.00000
Ga3 Ga 0.50000 0.24123 1.00000 1.00000
Ga4 Ga 0.50000 0.75877 0.00000 1.00000
Ga5 Ga 0.16276 0.75482 0.32564 1.00000
Ga6 Ga 0.16276 0.24519 0.32564 1.00000
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