InBi2Au9
Alexandria ALEXAlex-ID: agm005909413 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C9_126_spg2
InAu7 BiAu2 In3Au10
2023-07-24 10:40:29.224256
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005909413).
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 agm005909413
data_agm005909413
_cell_length_a 8.11356
_cell_length_b 5.80790
_cell_length_c 9.64336
_cell_angle_alpha 72.63270
_cell_angle_beta 129.62896
_cell_angle_gamma 72.84053
_cell_volume 250.84356
_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
In1 In 0.00000 0.00000 0.00000 1.00000
Bi1 Bi 0.04043 0.11334 0.65336 1.00000
Bi2 Bi 0.95957 0.88666 0.34664 1.00000
Au1 Au 0.25533 0.41007 0.83093 1.00000
Au2 Au 0.74467 0.58993 0.16907 1.00000
Au3 Au 0.50000 0.50000 0.50000 1.00000
Au4 Au 0.57222 0.54371 0.82539 1.00000
Au5 Au 0.46117 0.11850 0.71796 1.00000
Au6 Au 0.81606 0.72689 0.73995 1.00000
Au7 Au 0.42778 0.45629 0.17461 1.00000
Au8 Au 0.18394 0.27311 0.26005 1.00000
Au9 Au 0.53883 0.88150 0.28204 1.00000
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