Ba6Mg5In
Alexandria ALEXAlex-ID: agm006113550 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_53_spg71
Ba3In BaMg2 Ba
2023-08-31 12:53:35.866384
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006113550).
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 agm006113550
data_agm006113550
_cell_length_a 6.14166
_cell_length_b 10.64443
_cell_length_c 10.64443
_cell_angle_alpha 120.01743
_cell_angle_beta 106.77910
_cell_angle_gamma 106.77912
_cell_volume 491.89977
_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 0.17049 0.82951 1.00000
Mg2 Mg 0.00000 0.33375 0.66625 1.00000
Mg3 Mg 0.50000 0.50000 0.50000 1.00000
Mg4 Mg 1.00000 0.66625 0.33375 1.00000
Mg5 Mg 0.50000 0.82951 0.17049 1.00000
Ba1 Ba 0.24624 0.08206 0.41046 1.00000
Ba2 Ba 0.75376 0.58954 0.91794 1.00000
Ba3 Ba 0.74322 0.24316 0.24316 1.00000
Ba4 Ba 0.25678 0.75684 0.75684 1.00000
Ba5 Ba 0.24624 0.41046 0.08206 1.00000
Ba6 Ba 0.75376 0.91794 0.58954 1.00000
In1 In 0.00000 0.00000 0.00000 1.00000
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