Y8GaIr2
Alexandria ALEXAlex-ID: agm006015306 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C8_17_spg12
Y3Ir Y3Ga2 Y
2023-10-19 01:09:14.074567
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006015306).
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 agm006015306
data_agm006015306
_cell_length_a 5.54166
_cell_length_b 7.85202
_cell_length_c 7.85202
_cell_angle_alpha 112.91762
_cell_angle_beta 97.93736
_cell_angle_gamma 97.93737
_cell_volume 304.71058
_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
Y1 Y 0.57839 0.33361 0.07358 1.00000
Y2 Y 0.57839 0.07358 0.33361 1.00000
Y3 Y 0.19413 0.38323 0.38323 1.00000
Y4 Y 0.99616 0.23903 0.76201 1.00000
Y5 Y 0.99616 0.76201 0.23903 1.00000
Y6 Y 0.80280 0.62925 0.62925 1.00000
Y7 Y 0.40240 0.93272 0.67124 1.00000
Y8 Y 0.40240 0.67124 0.93272 1.00000
Ir1 Ir 0.49717 0.69366 0.31342 1.00000
Ir2 Ir 0.49717 0.31342 0.69366 1.00000
Ga1 Ga 0.05449 0.00219 0.00219 1.00000
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