Mg5In6Bi
Alexandria ALEXAlex-ID: agm006113547 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_50_spg71
MgIn6 Mg4In3 Mg3Bi2
2023-08-31 12:58:29.734869
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006113547).
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 agm006113547
data_agm006113547
_cell_length_a 4.62606
_cell_length_b 8.73235
_cell_length_c 8.73235
_cell_angle_alpha 108.85298
_cell_angle_beta 105.58579
_cell_angle_gamma 105.58579
_cell_volume 296.09271
_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 0.16246 0.83754 1.00000
Mg2 Mg 0.00000 0.32616 0.67384 1.00000
Mg3 Mg 0.50000 0.50000 0.50000 1.00000
Mg4 Mg 1.00000 0.67384 0.32616 1.00000
Mg5 Mg 0.50000 0.83754 0.16246 1.00000
Bi1 Bi 0.00000 0.00000 0.00000 1.00000
In1 In 0.26043 0.08873 0.43187 1.00000
In2 In 0.73957 0.56813 0.91127 1.00000
In3 In 0.77212 0.27124 0.27124 1.00000
In4 In 0.22788 0.72876 0.72876 1.00000
In5 In 0.26043 0.43187 0.08873 1.00000
In6 In 0.73957 0.91127 0.56813 1.00000
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