Al5Sb4
Alexandria ALEXAlex-ID: agm005502706 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A4B5_4_spg139
AlSb Al
2023-03-19 11:41:04.680649
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005502706).
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 agm005502706
data_agm005502706
_cell_length_a 7.51975
_cell_length_b 7.51975
_cell_length_c 7.51975
_cell_angle_alpha 93.78628
_cell_angle_beta 93.78628
_cell_angle_gamma 150.21898
_cell_volume 204.10727
_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
Al1 Al 0.00000 0.00000 0.00000 1.00000
Al2 Al 0.65772 0.34228 0.00000 1.00000
Al3 Al 0.34228 0.65772 0.00000 1.00000
Al4 Al 0.34228 0.34228 0.68456 1.00000
Al5 Al 0.65772 0.65772 0.31544 1.00000
Sb1 Sb 0.70339 0.00000 0.70339 1.00000
Sb2 Sb 0.29661 0.00000 0.29661 1.00000
Sb3 Sb 0.00000 0.29661 0.29661 1.00000
Sb4 Sb 0.00000 0.70339 0.70339 1.00000
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