Ba2(Mg3Ag2)3
Alexandria ALEXAlex-ID: agm005656134 · Space group: P6/mmm (#191)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B6C9_22_spg191
Ba(Mg2Ag)2 MgAg BaAg
2023-06-18 20:02:57.916023
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005656134).
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 agm005656134
data_agm005656134
_cell_length_a 6.18246
_cell_length_b 6.18246
_cell_length_c 13.71143
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 120.00000
_cell_volume 453.87417
_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 0.00000 0.00000 0.67117 1.00000
Ba2 Ba 0.00000 0.00000 0.32883 1.00000
Mg1 Mg 0.50000 0.00000 0.84111 1.00000
Mg2 Mg 0.00000 0.50000 0.84111 1.00000
Mg3 Mg 0.50000 0.50000 0.84111 1.00000
Mg4 Mg 0.50000 0.00000 0.15889 1.00000
Mg5 Mg 0.00000 0.50000 0.15889 1.00000
Mg6 Mg 0.50000 0.50000 0.15889 1.00000
Mg7 Mg 0.50000 0.00000 0.50000 1.00000
Mg8 Mg 0.00000 0.50000 0.50000 1.00000
Mg9 Mg 0.50000 0.50000 0.50000 1.00000
Ag1 Ag 0.33333 0.66667 0.00000 1.00000
Ag2 Ag 0.66667 0.33333 0.00000 1.00000
Ag3 Ag 0.33333 0.66667 0.67192 1.00000
Ag4 Ag 0.66667 0.33333 0.67192 1.00000
Ag5 Ag 0.66667 0.33333 0.32808 1.00000
Ag6 Ag 0.33333 0.66667 0.32808 1.00000
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