Y2BAu6
Alexandria ALEXAlex-ID: agm002255481 · Space group: Fm-3m (#225)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_2_spg225
YAu4 YB4 YAu3
2018-09-30 19:29:58
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002255481).
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 agm002255481
data_agm002255481
_cell_length_a 6.25572
_cell_length_b 6.25572
_cell_length_c 6.25571
_cell_angle_alpha 59.99970
_cell_angle_beta 59.99965
_cell_angle_gamma 59.99965
_cell_volume 173.10652
_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 0.25000 0.25000 0.25000 1.00000
Y2 Y 0.75000 0.75000 0.75000 1.00000
B1 B 0.50000 0.50000 0.50000 1.00000
Au1 Au 0.24341 0.75659 0.75659 1.00000
Au2 Au 0.75659 0.75659 0.24341 1.00000
Au3 Au 0.24341 0.75659 0.24341 1.00000
Au4 Au 0.75659 0.24341 0.24341 1.00000
Au5 Au 0.75659 0.24341 0.75659 1.00000
Au6 Au 0.24341 0.24341 0.75659 1.00000
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