Mn4Au3
Alexandria ALEXAlex-ID: agm005487901 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4_21_spg139
MnAu2 Mn
2023-03-18 00:06:36.552984
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005487901).
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 agm005487901
data_agm005487901
_cell_length_a 11.06804
_cell_length_b 11.06804
_cell_length_c 11.06804
_cell_angle_alpha 163.31351
_cell_angle_beta 163.31351
_cell_angle_gamma 23.68320
_cell_volume 111.75919
_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
Mn1 Mn 0.14054 0.14054 0.00000 1.00000
Mn2 Mn 0.42840 0.42840 0.00000 1.00000
Mn3 Mn 0.57160 0.57160 0.00000 1.00000
Mn4 Mn 0.85946 0.85946 0.00000 1.00000
Au1 Au 0.00000 0.00000 0.00000 1.00000
Au2 Au 0.29286 0.29286 0.00000 1.00000
Au3 Au 0.70714 0.70714 0.00000 1.00000
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