MgInSb2
Alexandria ALEXAlex-ID: agm005646955 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_1272_spg8
InSb Sb Mg3Sb2
2023-07-14 16:12:23.429623
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005646955).
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 agm005646955
data_agm005646955
_cell_length_a 3.84217
_cell_length_b 8.32122
_cell_length_c 8.75891
_cell_angle_alpha 83.88846
_cell_angle_beta 89.96888
_cell_angle_gamma 76.62462
_cell_volume 270.80717
_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 0.34369 0.00560 0.22017 1.00000
Mg2 Mg 0.09631 0.49922 0.46964 1.00000
In1 In 0.60108 0.49125 0.96668 1.00000
In2 In 0.85524 0.98482 0.71987 1.00000
Sb1 Sb 0.16908 0.35473 0.18983 1.00000
Sb2 Sb 0.92264 0.84776 0.43681 1.00000
Sb3 Sb 0.67554 0.34096 0.68775 1.00000
Sb4 Sb 0.42359 0.84748 0.94381 1.00000
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