La5SbAs4
Alexandria ALEXAlex-ID: agm006102481 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C5_34_spg71
LaSb LaAs
2023-10-10 16:48:19
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006102481).
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 agm006102481
data_agm006102481
_cell_length_a 4.41945
_cell_length_b 6.26955
_cell_length_c 11.72247
_cell_angle_alpha 105.51054
_cell_angle_beta 100.86544
_cell_angle_gamma 90.00000
_cell_volume 306.92917
_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 0.60636 0.10636 0.21271 1.00000
La2 La 0.80104 0.30104 0.60208 1.00000
La3 La 0.19896 0.69896 0.39792 1.00000
La4 La 0.00000 0.50000 0.00000 1.00000
La5 La 0.39364 0.89364 0.78729 1.00000
Sb1 Sb 0.00000 0.00000 0.00000 1.00000
As1 As 0.39936 0.39936 0.79872 1.00000
As2 As 0.79747 0.79747 0.59495 1.00000
As3 As 0.20253 0.20253 0.40505 1.00000
As4 As 0.60064 0.60064 0.20128 1.00000
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