Y6Al3Ni4IrPb
Alexandria ALEXAlex-ID: agm010647340 · Space group: P-6m2 (#187)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3D4E6_5_spg187
YAlNi YAlIr Y2AlNi2 Y5Pb3 Y3(AlNi3)2
2025-03-14 09:40:37
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010647340).
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 agm010647340
data_agm010647340
_cell_length_a 9.35363
_cell_length_b 9.35363
_cell_length_c 4.12885
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 119.99433
_cell_volume 312.85623
_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 0.84042 0.68061 0.00000 1.00000
Y2 Y 0.31939 0.15958 0.00000 1.00000
Y3 Y 0.84035 0.15965 0.00000 1.00000
Y4 Y 0.20742 0.41461 0.50000 1.00000
Y5 Y 0.58539 0.79258 0.50000 1.00000
Y6 Y 0.20743 0.79257 0.50000 1.00000
Al1 Al 0.56879 0.13737 0.50000 1.00000
Al2 Al 0.86263 0.43121 0.50000 1.00000
Al3 Al 0.56884 0.43116 0.50000 1.00000
Ni1 Ni 0.66668 0.33332 0.00000 1.00000
Ni2 Ni 0.48708 0.97396 0.00000 1.00000
Ni3 Ni 0.02604 0.51292 0.00000 1.00000
Ni4 Ni 0.48719 0.51281 0.00000 1.00000
Ir1 Ir 0.33346 0.66654 0.00000 1.00000
Pb1 Pb 0.00002 0.99998 0.50000 1.00000
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