Mg5Sc5Ag2
Alexandria ALEXAlex-ID: agm005656097 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5C5_60_spg166
MgScAg MgSc
2023-06-20 16:54:57.834025
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005656097).
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 agm005656097
data_agm005656097
_cell_length_a 4.99213
_cell_length_b 4.99213
_cell_length_c 12.94232
_cell_angle_alpha 78.49468
_cell_angle_beta 78.49474
_cell_angle_gamma 60.03988
_cell_volume 271.92480
_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 0.50000 0.50000 0.50000 1.00000
Mg2 Mg 0.30734 0.30734 0.07799 1.00000
Mg3 Mg 0.22693 0.22693 0.32188 1.00000
Mg4 Mg 0.77307 0.77307 0.67812 1.00000
Mg5 Mg 0.69266 0.69266 0.92201 1.00000
Sc1 Sc 0.85788 0.85788 0.42873 1.00000
Sc2 Sc 0.39767 0.39767 0.80512 1.00000
Sc3 Sc 0.60233 0.60233 0.19488 1.00000
Sc4 Sc 0.14212 0.14212 0.57127 1.00000
Sc5 Sc 0.00000 0.00000 0.00000 1.00000
Ag1 Ag 0.07052 0.07052 0.78649 1.00000
Ag2 Ag 0.92948 0.92948 0.21351 1.00000
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