Mg3Zn7Fe2
Alexandria ALEXAlex-ID: agm024851908 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C7_153_spg166
Zn9Fe4 Mg4Zn7 Fe
2025-05-17 00:26:47
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024851908).
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 agm024851908
data_agm024851908
_cell_length_a 9.06131
_cell_length_b 9.06131
_cell_length_c 9.06131
_cell_angle_alpha 32.47640
_cell_angle_beta 32.47640
_cell_angle_gamma 32.47640
_cell_volume 190.73357
_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 0.00000 0.00000 0.00000 1.00000
Mg2 Mg 0.14624 0.14624 0.14624 1.00000
Mg3 Mg 0.85376 0.85376 0.85376 1.00000
Zn1 Zn 0.50000 0.50000 0.50000 1.00000
Zn2 Zn 0.07973 0.58199 0.58199 1.00000
Zn3 Zn 0.58199 0.58199 0.07973 1.00000
Zn4 Zn 0.58199 0.07973 0.58199 1.00000
Zn5 Zn 0.92027 0.41801 0.41801 1.00000
Zn6 Zn 0.41801 0.92027 0.41801 1.00000
Zn7 Zn 0.41801 0.41801 0.92027 1.00000
Fe1 Fe 0.33298 0.33298 0.33298 1.00000
Fe2 Fe 0.66702 0.66702 0.66702 1.00000
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