MgIn5Pb6
Alexandria ALEXAlex-ID: agm006113526 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_51_spg65
MgIn6 Mg4In3 Pb
2023-09-17 17:11:23.983949
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006113526).
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 agm006113526
data_agm006113526
_cell_length_a 4.70997
_cell_length_b 9.75167
_cell_length_c 7.97568
_cell_angle_alpha 90.00039
_cell_angle_beta 72.16207
_cell_angle_gamma 90.00053
_cell_volume 348.71308
_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
Pb1 Pb 0.83513 0.75492 0.33105 1.00000
Pb2 Pb 0.83514 0.24508 0.33105 1.00000
Pb3 Pb 0.50000 0.24429 0.00000 1.00000
Pb4 Pb 0.50000 0.75571 1.00000 1.00000
Pb5 Pb 0.16486 0.75492 0.66895 1.00000
Pb6 Pb 0.16487 0.24508 0.66895 1.00000
Mg1 Mg 0.00000 0.00000 0.00000 1.00000
In1 In 0.66447 0.50000 0.66876 1.00000
In2 In 0.33658 0.00000 0.32741 1.00000
In3 In 0.00000 0.50000 0.00000 1.00000
In4 In 0.66342 1.00000 0.67259 1.00000
In5 In 0.33553 0.50000 0.33124 1.00000
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