Mg4ZnIn5
Alexandria ALEXAlex-ID: agm006117832 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C5_427_spg2
Mg4In3 Mg4Zn7 MgIn6
2023-10-11 10:02:08
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006117832).
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
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# CIF generated by HEAS from Alexandria entry agm006117832
data_agm006117832
_cell_length_a 5.55633
_cell_length_b 6.35050
_cell_length_c 7.14438
_cell_angle_alpha 103.60642
_cell_angle_beta 105.88484
_cell_angle_gamma 74.49047
_cell_volume 230.03752
_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 0.70051 0.29945 0.39419 1.00000
Mg2 Mg 0.09935 0.89406 0.19055 1.00000
Mg3 Mg 0.29949 0.70055 0.60581 1.00000
Mg4 Mg 0.90065 0.10594 0.80945 1.00000
Zn1 Zn 0.50000 0.00000 0.00000 1.00000
In1 In 0.29877 0.18656 0.60878 1.00000
In2 In 0.11460 0.38636 0.20535 1.00000
In3 In 0.88540 0.61364 0.79465 1.00000
In4 In 0.50000 0.50000 0.00000 1.00000
In5 In 0.70123 0.81344 0.39122 1.00000
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