Y3Ga3Ir2Au
Alexandria ALEXAlex-ID: agm040405013 · Space group: Pm (#6)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D3_12_spg6
YGaIr YGaAu
2025-01-14 15:44:39
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm040405013).
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
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm040405013
data_agm040405013
_cell_length_a 6.92444
_cell_length_b 4.45550
_cell_length_c 23.18899
_cell_angle_alpha 90.00000
_cell_angle_beta 90.04438
_cell_angle_gamma 90.00000
_cell_volume 715.42200
_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 0.50680 0.00000 0.93251 1.00000
Y2 Y 0.51014 0.00000 0.59792 1.00000
Y3 Y 0.50914 0.00000 0.26621 1.00000
Y4 Y 0.00815 0.00000 0.90291 1.00000
Y5 Y 0.01732 0.00000 0.56328 1.00000
Y6 Y 0.01751 0.00000 0.23077 1.00000
Y7 Y 0.47960 0.50000 0.72935 1.00000
Y8 Y 0.47264 0.50000 0.39769 1.00000
Y9 Y 0.47131 0.50000 0.06553 1.00000
Y10 Y 0.97851 0.50000 0.77047 1.00000
Y11 Y 0.98687 0.50000 0.43761 1.00000
Y12 Y 0.98494 0.50000 0.10479 1.00000
Ga1 Ga 0.68221 0.00000 0.81089 1.00000
Ga2 Ga 0.66063 0.00000 0.47741 1.00000
Ga3 Ga 0.66174 0.00000 0.14521 1.00000
Ga4 Ga 0.18105 0.00000 0.68798 1.00000
Ga5 Ga 0.18017 0.00000 0.35763 1.00000
Ga6 Ga 0.18092 0.00000 0.02599 1.00000
Ga7 Ga 0.33038 0.50000 0.86032 1.00000
Ga8 Ga 0.33307 0.50000 0.52442 1.00000
Ga9 Ga 0.33418 0.50000 0.19161 1.00000
Ga10 Ga 0.83046 0.50000 0.97427 1.00000
Ga11 Ga 0.83808 0.50000 0.63870 1.00000
Ga12 Ga 0.84022 0.50000 0.30659 1.00000
Ir1 Ir 0.27651 0.00000 0.46549 1.00000
Ir2 Ir 0.27798 0.00000 0.13339 1.00000
Ir3 Ir 0.21987 0.50000 0.96715 1.00000
Ir4 Ir 0.22488 0.50000 0.63251 1.00000
Ir5 Ir 0.22415 0.50000 0.29912 1.00000
Ir6 Ir 0.72061 0.50000 0.86701 1.00000
Ir7 Ir 0.72299 0.50000 0.53265 1.00000
Ir8 Ir 0.72316 0.50000 0.20093 1.00000
Au1 Au 0.78158 0.00000 0.69942 1.00000
Au2 Au 0.77833 0.00000 0.36745 1.00000
Au3 Au 0.77459 0.00000 0.03456 1.00000
Au4 Au 0.27932 0.00000 0.80024 1.00000
