Mg12Ga5Au2
Alexandria ALEXAlex-ID: agm003370554 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5C12_35_spg12
Mg6Ga2Au Mg2Au MgGa
2022-02-07 03:14:51.424172
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003370554).
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 agm003370554
data_agm003370554
_cell_length_a 9.10103
_cell_length_b 7.41303
_cell_length_c 7.33473
_cell_angle_alpha 84.25074
_cell_angle_beta 90.00000
_cell_angle_gamma 127.86864
_cell_volume 387.48366
_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 0.88825 0.77651 0.12671 1.00000
Mg2 Mg 0.02846 0.70673 0.78030 1.00000
Mg3 Mg 0.67827 0.70673 0.78030 1.00000
Mg4 Mg 0.15963 0.77902 0.37551 1.00000
Mg5 Mg 0.61939 0.77902 0.37551 1.00000
Mg6 Mg 0.42466 0.84932 0.72506 1.00000
Mg7 Mg 0.57534 0.15068 0.27494 1.00000
Mg8 Mg 0.84037 0.22098 0.62449 1.00000
Mg9 Mg 0.38061 0.22098 0.62449 1.00000
Mg10 Mg 0.97154 0.29327 0.21970 1.00000
Mg11 Mg 0.32173 0.29327 0.21970 1.00000
Mg12 Mg 0.11175 0.22349 0.87329 1.00000
Ga1 Ga 0.23733 0.47466 0.51327 1.00000
Ga2 Ga 0.33822 0.67644 0.10743 1.00000
Ga3 Ga 0.00000 0.00000 0.50000 1.00000
Ga4 Ga 0.66178 0.32356 0.89257 1.00000
Ga5 Ga 0.76267 0.52534 0.48673 1.00000
Au1 Au 0.71697 0.00000 0.00000 1.00000
Au2 Au 0.28303 1.00000 1.00000 1.00000
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