Ba2Au
Alexandria ALEXAlex-ID: agm003200899 · Space group: Cmc2_1 (#36)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2_7_spg36
Ba2Au
2021-12-02 22:33:59.308798
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003200899).
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 agm003200899
data_agm003200899
_cell_length_a 7.85515
_cell_length_b 7.85515
_cell_length_c 8.03640
_cell_angle_alpha 90.00950
_cell_angle_beta 90.00950
_cell_angle_gamma 32.25255
_cell_volume 264.62416
_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
Au1 Au 0.97482 0.97482 0.07549 1.00000
Au2 Au 0.74738 0.74738 0.57537 1.00000
Ba1 Ba 0.34651 0.34651 0.29426 1.00000
Ba2 Ba 0.37574 0.37574 0.79415 1.00000
Ba3 Ba 0.08685 0.08685 0.46364 1.00000
Ba4 Ba 0.63538 0.63538 0.96375 1.00000
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