Ba2Mg3Ag4
Alexandria ALEXAlex-ID: agm005661503 · Space group: Cmce (#64)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_75_spg64
Ba(Mg2Ag)2 MgAg BaAg
2023-06-27 10:02:32.879464
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005661503).
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 agm005661503
data_agm005661503
_cell_length_a 6.48100
_cell_length_b 8.56389
_cell_length_c 9.30569
_cell_angle_alpha 90.00000
_cell_angle_beta 110.37896
_cell_angle_gamma 90.00000
_cell_volume 484.16244
_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
Ba1 Ba 0.11173 0.58912 0.22346 1.00000
Ba2 Ba 0.88827 0.41088 0.77654 1.00000
Ba3 Ba 0.38827 0.08912 0.77654 1.00000
Ba4 Ba 0.61173 0.91088 0.22346 1.00000
Mg1 Mg 0.00000 0.00000 0.00000 1.00000
Mg2 Mg 0.50000 0.50000 0.00000 1.00000
Mg3 Mg 0.53131 0.75000 0.56262 1.00000
Mg4 Mg 0.96869 0.25000 0.43738 1.00000
Mg5 Mg 0.46869 0.25000 0.43738 1.00000
Mg6 Mg 0.03131 0.75000 0.56262 1.00000
Ag1 Ag 0.69499 0.75000 0.88998 1.00000
Ag2 Ag 0.80501 0.25000 0.11002 1.00000
Ag3 Ag 0.30501 0.25000 0.11002 1.00000
Ag4 Ag 0.19499 0.75000 0.88998 1.00000
Ag5 Ag 0.18791 0.97521 0.37582 1.00000
Ag6 Ag 0.81209 0.02479 0.62418 1.00000
Ag7 Ag 0.31209 0.47521 0.62418 1.00000
Ag8 Ag 0.68791 0.52479 0.37582 1.00000
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