Be4InAu8
Alexandria ALEXAlex-ID: agm098048017 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C8_1466_spg6
InAu Be3Au5 BeAu3
2025-06-20 16:50:06
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm098048017).
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 agm098048017
data_agm098048017
_cell_length_a 3.93788
_cell_length_b 8.03156
_cell_length_c 7.93162
_cell_angle_alpha 65.84201
_cell_angle_beta 92.66668
_cell_angle_gamma 103.07069
_cell_volume 222.65642
_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
Be1 Be 0.88960 0.74877 0.12928 1.00000
Be2 Be 0.96182 0.53475 0.01578 1.00000
Be3 Be 0.86035 0.59077 0.45780 1.00000
Be4 Be 0.14872 0.22517 0.34671 1.00000
In1 In 0.16420 0.12629 0.90183 1.00000
Au1 Au 0.63190 0.22639 0.16947 1.00000
Au2 Au 0.29961 0.55996 0.27530 1.00000
Au3 Au 0.42082 0.69449 0.56423 1.00000
Au4 Au 0.08495 0.96321 0.64630 1.00000
Au5 Au 0.01387 0.92806 0.29841 1.00000
Au6 Au 0.68668 0.26614 0.51013 1.00000
Au7 Au 0.80357 0.41437 0.78553 1.00000
Au8 Au 0.53390 0.72164 0.89923 1.00000
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