Mg2(GaAg)5
Alexandria ALEXAlex-ID: agm005654839 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5C5_18_spg12
Mg2Ga5 Ga4Ag3 MgAg
2023-06-19 02:53:46.172435
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005654839).
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 agm005654839
data_agm005654839
_cell_length_a 4.17839
_cell_length_b 6.46729
_cell_length_c 8.93030
_cell_angle_alpha 72.58879
_cell_angle_beta 76.47058
_cell_angle_gamma 71.15311
_cell_volume 215.38691
_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 0.91918 0.41458 0.74707 1.00000
Mg2 Mg 0.08082 0.58542 0.25293 1.00000
Ga1 Ga 0.50000 0.50000 0.50000 1.00000
Ga2 Ga 0.34082 0.32184 0.99652 1.00000
Ga3 Ga 0.40558 0.93068 0.25816 1.00000
Ga4 Ga 0.59442 0.06932 0.74184 1.00000
Ga5 Ga 0.65918 0.67816 0.00348 1.00000
Ag1 Ag 0.83462 0.82972 0.50104 1.00000
Ag2 Ag 0.25254 0.73643 0.75849 1.00000
Ag3 Ag 0.74746 0.26357 0.24151 1.00000
Ag4 Ag 0.16538 0.17028 0.49896 1.00000
Ag5 Ag 0.00000 0.00000 0.00000 1.00000
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