Mg3PaAu4
Alexandria ALEXAlex-ID: agm005952986 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C4_88_spg166
Pa3Au PaAu2 MgAu
2023-09-29 05:57:21.282076
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005952986).
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 agm005952986
data_agm005952986
_cell_length_a 4.64999
_cell_length_b 4.64999
_cell_length_c 8.93041
_cell_angle_alpha 74.90940
_cell_angle_beta 74.90939
_cell_angle_gamma 60.00000
_cell_volume 159.49166
_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
Mg1 Mg 0.24047 0.24047 0.27860 1.00000
Mg2 Mg 0.75953 0.75953 0.72140 1.00000
Mg3 Mg 0.50000 0.50000 0.50000 1.00000
Pa1 Pa 0.00000 0.00000 0.00000 1.00000
Au1 Au 0.87595 0.87595 0.37216 1.00000
Au2 Au 0.38815 0.38815 0.83554 1.00000
Au3 Au 0.12405 0.12405 0.62784 1.00000
Au4 Au 0.61185 0.61185 0.16446 1.00000
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