Mg3InCu5
Alexandria ALEXAlex-ID: agm072156802 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C5_1184_spg12
MgIn6 Mg4In3 MgCu2
2024-09-24 14:16:39.275075
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072156802).
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 agm072156802
data_agm072156802
_cell_length_a 4.45443
_cell_length_b 5.09128
_cell_length_c 6.91649
_cell_angle_alpha 81.16567
_cell_angle_beta 72.79038
_cell_angle_gamma 68.96925
_cell_volume 139.65643
_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 0.01817 0.30630 0.28526 1.00000
Mg2 Mg 0.12142 0.53459 0.83106 1.00000
Mg3 Mg 0.65371 0.70518 0.59432 1.00000
In1 In 0.75100 0.93070 0.15026 1.00000
Cu1 Cu 0.54252 0.48639 0.05307 1.00000
Cu2 Cu 0.33772 0.99013 0.91455 1.00000
Cu3 Cu 0.23172 0.74574 0.37912 1.00000
Cu4 Cu 0.42733 0.24736 0.51473 1.00000
Cu5 Cu 0.88260 0.12514 0.71278 1.00000
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