Ba3Mg2In9
Alexandria ALEXAlex-ID: agm005606544 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C9_126_spg71
BaMgIn3 BaIn4 BaIn2
2023-06-14 07:22:41.946754
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005606544).
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 agm005606544
data_agm005606544
_cell_length_a 5.01870
_cell_length_b 9.63282
_cell_length_c 9.63282
_cell_angle_alpha 72.09284
_cell_angle_beta 74.90027
_cell_angle_gamma 74.90027
_cell_volume 419.50173
_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 0.00000 1.00000
Ba2 Ba 0.69486 0.30514 0.30514 1.00000
Ba3 Ba 0.30514 0.69486 0.69486 1.00000
Mg1 Mg 0.50000 0.30387 0.69613 1.00000
Mg2 Mg 0.50000 0.69613 0.30387 1.00000
In1 In 0.00000 0.50000 0.50000 1.00000
In2 In 0.66032 0.97356 0.70580 1.00000
In3 In 0.33968 0.02644 0.29420 1.00000
In4 In 0.66032 0.70580 0.97356 1.00000
In5 In 0.33968 0.29420 0.02644 1.00000
In6 In 0.85967 0.86120 0.41946 1.00000
In7 In 0.14033 0.13880 0.58054 1.00000
In8 In 0.85967 0.41946 0.86120 1.00000
In9 In 0.14033 0.58054 0.13880 1.00000
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