LiLa2As3Ir4
Alexandria ALEXAlex-ID: agm004536244 · Space group: P-4m2 (#115)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D4_7_spg115
Li3LaAs2 La(AsIr)2 LaAs Ir
2022-06-21 07:44:10.435679
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004536244).
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 agm004536244
data_agm004536244
_cell_length_a 4.19398
_cell_length_b 4.19398
_cell_length_c 10.52500
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 185.12922
_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 0.50000 0.50000 0.50000 1.00000
La1 La 0.50000 0.00000 0.25763 1.00000
La2 La 0.00000 0.50000 0.74237 1.00000
As1 As 0.00000 0.00000 0.50000 1.00000
As2 As 0.50000 0.00000 0.86462 1.00000
As3 As 0.00000 0.50000 0.13538 1.00000
Ir1 Ir 0.50000 0.50000 0.00000 1.00000
Ir2 Ir 0.00000 0.00000 0.00000 1.00000
Ir3 Ir 0.50000 0.00000 0.63479 1.00000
Ir4 Ir 0.00000 0.50000 0.36521 1.00000
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