La3Sb
Alexandria ALEXAlex-ID: agm005543462 · Space group: P4_2/n (#86)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3_281_spg86
La2Sb La
2023-05-28 20:00:25.003617
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005543462).
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 agm005543462
data_agm005543462
_cell_length_a 6.41258
_cell_length_b 13.09380
_cell_length_c 13.09380
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 1099.42170
_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
La1 La 0.99500 0.28096 0.82394 1.00000
La2 La 0.99500 0.71904 0.17606 1.00000
La3 La 0.49500 0.67606 0.78096 1.00000
La4 La 0.49500 0.32394 0.21904 1.00000
La5 La 0.50500 0.21904 0.67606 1.00000
La6 La 0.50500 0.78096 0.32394 1.00000
La7 La 0.00500 0.82394 0.71904 1.00000
La8 La 0.00500 0.17606 0.28096 1.00000
La9 La 0.52608 0.38855 0.91696 1.00000
La10 La 0.52608 0.61145 0.08304 1.00000
La11 La 0.02608 0.58304 0.88855 1.00000
La12 La 0.02608 0.41696 0.11145 1.00000
La13 La 0.97392 0.11145 0.58304 1.00000
La14 La 0.97392 0.88855 0.41696 1.00000
La15 La 0.47392 0.91696 0.61145 1.00000
La16 La 0.47392 0.08304 0.38855 1.00000
La17 La 0.72735 0.02844 0.85918 1.00000
La18 La 0.72735 0.97156 0.14082 1.00000
La19 La 0.22735 0.64082 0.52844 1.00000
La20 La 0.22735 0.35918 0.47156 1.00000
La21 La 0.77265 0.47156 0.64082 1.00000
La22 La 0.77265 0.52844 0.35918 1.00000
La23 La 0.27265 0.85918 0.97156 1.00000
La24 La 0.27265 0.14082 0.02844 1.00000
Sb1 Sb 0.77884 0.79748 0.95535 1.00000
Sb2 Sb 0.77884 0.20252 0.04465 1.00000
Sb3 Sb 0.27884 0.54465 0.29748 1.00000
Sb4 Sb 0.27884 0.45535 0.70252 1.00000
Sb5 Sb 0.72116 0.70252 0.54465 1.00000
Sb6 Sb 0.72116 0.29748 0.45535 1.00000
Sb7 Sb 0.22116 0.95535 0.20252 1.00000
Sb8 Sb 0.22116 0.04465 0.79748 1.00000
