Mg2Zn3In2
Alexandria ALEXAlex-ID: agm005551243 · Space group: I2_12_12_1 (#24)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C3_803_spg24
In Mg4Zn7 MgIn6
2023-06-12 05:48:04.096719
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005551243).
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 agm005551243
data_agm005551243
_cell_length_a 7.35033
_cell_length_b 7.33632
_cell_length_c 7.35110
_cell_angle_alpha 113.21213
_cell_angle_beta 101.73781
_cell_angle_gamma 113.86206
_cell_volume 300.52264
_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 0.16271 0.03230 0.53609 1.00000
Mg2 Mg 0.33592 0.36955 0.36498 1.00000
Mg3 Mg 0.49519 0.13052 0.96639 1.00000
Mg4 Mg 0.00394 0.46788 0.13052 1.00000
Zn1 Zn 0.86070 0.75005 0.11073 1.00000
Zn2 Zn 0.64184 0.25009 0.39188 1.00000
Zn3 Zn 0.87045 0.12113 0.24623 1.00000
Zn4 Zn 0.62534 0.37850 0.74947 1.00000
Zn5 Zn 0.25022 0.86691 0.11680 1.00000
Zn6 Zn 0.75011 0.63307 0.38344 1.00000
In1 In 0.95824 0.97600 0.86032 1.00000
In2 In 0.54153 0.90383 0.52306 1.00000
In3 In 0.11927 0.59607 0.63779 1.00000
In4 In 0.38454 0.52410 0.98230 1.00000
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