KAlSb
Alexandria ALEXAlex-ID: agm005694824 · Space group: Pm (#6)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_134_spg47
K3AlSb2 K2Al2Sb3 Al
2023-06-16 20:55:51.045304
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005694824).
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 agm005694824
data_agm005694824
_cell_length_a 4.41918
_cell_length_b 7.38247
_cell_length_c 8.03354
_cell_angle_alpha 88.86786
_cell_angle_beta 89.97100
_cell_angle_gamma 53.17976
_cell_volume 209.74632
_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
K1 K 0.16176 0.57753 0.41155 1.00000
K2 K 0.60269 0.63543 0.90885 1.00000
Al1 Al 0.25858 0.98046 0.23948 1.00000
Al2 Al 0.57222 0.16679 0.75701 1.00000
Sb1 Sb 0.13230 0.10699 0.57608 1.00000
Sb2 Sb 0.56538 0.17337 0.08494 1.00000
Get direct link