Li3SbAs2
Alexandria ALEXAlex-ID: agm005677329 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_2560_spg2
SbAs Sb Li2As
2023-08-22 09:42:30.562594
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005677329).
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 agm005677329
data_agm005677329
_cell_length_a 12.48698
_cell_length_b 6.24716
_cell_length_c 7.64114
_cell_angle_alpha 73.22917
_cell_angle_beta 122.75135
_cell_angle_gamma 89.62685
_cell_volume 470.10038
_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
Li1 Li 0.29677 0.93568 0.11784 1.00000
Li2 Li 0.17548 0.58399 0.36099 1.00000
Li3 Li 0.70323 0.06432 0.88216 1.00000
Li4 Li 0.82452 0.41601 0.63901 1.00000
Li5 Li 0.32455 0.41628 0.13907 1.00000
Li6 Li 0.20328 0.06449 0.38203 1.00000
Li7 Li 0.67545 0.58371 0.86093 1.00000
Li8 Li 0.79672 0.93551 0.61797 1.00000
Li9 Li 0.98724 0.78861 0.43829 1.00000
Li10 Li 0.51273 0.21128 0.06187 1.00000
Li11 Li 0.01276 0.21139 0.56171 1.00000
Li12 Li 0.48727 0.78872 0.93813 1.00000
Sb1 Sb 0.57385 0.73879 0.38872 1.00000
Sb2 Sb 0.92615 0.26102 0.11121 1.00000
Sb3 Sb 0.42615 0.26121 0.61128 1.00000
Sb4 Sb 0.07385 0.73897 0.88879 1.00000
As1 As 0.74746 0.70525 0.22994 1.00000
As2 As 0.75260 0.29421 0.27000 1.00000
As3 As 0.25254 0.29475 0.77006 1.00000
As4 As 0.24740 0.70579 0.73000 1.00000
As5 As 0.41545 0.72019 0.56202 1.00000
As6 As 0.08461 0.28003 0.93783 1.00000
As7 As 0.58455 0.27981 0.43798 1.00000
As8 As 0.91539 0.71997 0.06217 1.00000
