VGaAu
Alexandria ALEXAlex-ID: agm005649099 · Space group: P4/nmm (#129)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_7571_spg129
V2Ga GaAu2
2023-06-19 12:59:16.092373
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005649099).
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 agm005649099
data_agm005649099
_cell_length_a 3.20363
_cell_length_b 3.20191
_cell_length_c 9.66625
_cell_angle_alpha 89.99657
_cell_angle_beta 70.65840
_cell_angle_gamma 89.99913
_cell_volume 93.55766
_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
V1 V 0.69023 0.24769 0.56367 1.00000
V2 V 0.31418 0.74772 0.43956 1.00000
Ga1 Ga 0.97847 0.24785 0.27525 1.00000
Ga2 Ga 0.02603 0.74776 0.72801 1.00000
Au1 Au 0.36437 0.24770 0.88993 1.00000
Au2 Au 0.64018 0.74783 0.11328 1.00000
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