MoAu
Alexandria ALEXAlex-ID: agm005476064 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB_1540_spg8
Au Mo
2023-03-21 15:08:54.337042
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005476064).
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 agm005476064
data_agm005476064
_cell_length_a 5.63468
_cell_length_b 5.63468
_cell_length_c 6.91368
_cell_angle_alpha 75.87383
_cell_angle_beta 75.87383
_cell_angle_gamma 28.14754
_cell_volume 100.21954
_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
Mo1 Mo 0.33096 0.33096 0.32509 1.00000
Mo2 Mo 0.93641 0.93641 0.61269 1.00000
Mo3 Mo 0.28478 0.28478 0.95063 1.00000
Au1 Au 0.00183 0.00183 0.99747 1.00000
Au2 Au 0.60902 0.60902 0.28483 1.00000
Au3 Au 0.67034 0.67034 0.66262 1.00000
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