Mn3Au4
Alexandria ALEXAlex-ID: agm005487101 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4_106_spg139
MnAu2 Mn
2023-03-18 00:26:49.014337
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005487101).
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 agm005487101
data_agm005487101
_cell_length_a 10.42118
_cell_length_b 10.42118
_cell_length_c 10.42118
_cell_angle_alpha 161.18335
_cell_angle_beta 161.18335
_cell_angle_gamma 26.73317
_cell_volume 117.69469
_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 0.00000 0.00000 0.00000 1.00000
Mn2 Mn 0.71151 0.71151 0.00000 1.00000
Mn3 Mn 0.28849 0.28849 0.00000 1.00000
Au1 Au 0.84928 0.84928 0.00000 1.00000
Au2 Au 0.56953 0.56953 0.00000 1.00000
Au3 Au 0.43047 0.43047 0.00000 1.00000
Au4 Au 0.15072 0.15072 0.00000 1.00000
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