PaGa3Au5
Alexandria ALEXAlex-ID: agm072354085 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C5_1265_spg8
GaAu PaAu3 Ga2Au
2024-09-24 09:27:35.704203
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072354085).
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 agm072354085
data_agm072354085
_cell_length_a 4.97459
_cell_length_b 5.86466
_cell_length_c 7.18245
_cell_angle_alpha 115.65033
_cell_angle_beta 101.08960
_cell_angle_gamma 99.78059
_cell_volume 177.61461
_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
Pa1 Pa 0.02193 0.07890 0.11870 1.00000
Ga1 Ga 0.18949 0.42096 0.60092 1.00000
Ga2 Ga 0.42150 0.01126 0.80064 1.00000
Ga3 Ga 0.60136 0.18041 0.44345 1.00000
Au1 Au 0.86454 0.91478 0.63988 1.00000
Au2 Au 0.21598 0.71797 0.36437 1.00000
Au3 Au 0.84425 0.45790 0.87783 1.00000
Au4 Au 0.61660 0.43255 0.21554 1.00000
Au5 Au 0.43456 0.73548 0.01920 1.00000
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