Y3(BiAu)4
Alexandria ALEXAlex-ID: agm009786186 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C4_28_spg1
Y3Bi4Au3 YAu2 Bi
2024-04-06 14:59:02
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009786186).
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 agm009786186
data_agm009786186
_cell_length_a 3.59118
_cell_length_b 6.00193
_cell_length_c 14.07162
_cell_angle_alpha 100.29145
_cell_angle_beta 97.29737
_cell_angle_gamma 93.46142
_cell_volume 294.92878
_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 0.14788 0.00213 0.31194 1.00000
Y2 Y 0.85212 0.99787 0.68806 1.00000
Y3 Y 0.00000 0.00000 0.00000 1.00000
Bi1 Bi 0.66570 0.52068 0.35713 1.00000
Bi2 Bi 0.52706 0.67136 0.12474 1.00000
Bi3 Bi 0.47294 0.32864 0.87526 1.00000
Bi4 Bi 0.33430 0.47932 0.64287 1.00000
Au1 Au 0.75380 0.17496 0.48097 1.00000
Au2 Au 0.39993 0.79639 0.83423 1.00000
Au3 Au 0.60007 0.20361 0.16577 1.00000
Au4 Au 0.24620 0.82504 0.51903 1.00000
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