Be2GeAu6
Alexandria ALEXAlex-ID: agm005809159 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_1855_spg12
BeAu3 Ge
2023-07-06 11:41:31.809023
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005809159).
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 agm005809159
data_agm005809159
_cell_length_a 4.87473
_cell_length_b 4.87473
_cell_length_c 6.69631
_cell_angle_alpha 94.69058
_cell_angle_beta 94.69058
_cell_angle_gamma 111.56618
_cell_volume 146.41153
_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 0.25704 0.24296 0.50000 1.00000
Be2 Be 0.74296 0.75704 0.50000 1.00000
Ge1 Ge 0.50000 0.00000 0.00000 1.00000
Au1 Au 0.00667 0.14424 0.80402 1.00000
Au2 Au 0.35576 0.49333 0.19598 1.00000
Au3 Au 0.99333 0.85576 0.19598 1.00000
Au4 Au 0.64424 0.50667 0.80402 1.00000
Au5 Au 0.25875 0.75875 0.59844 1.00000
Au6 Au 0.74125 0.24125 0.40156 1.00000
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