La3ErIr2
Alexandria ALEXAlex-ID: agm005688713 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_386_spg107
Er5Ir3 La7Ir3 La2Ir
2023-08-19 03:25:32.496196
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005688713).
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 agm005688713
data_agm005688713
_cell_length_a 4.87136
_cell_length_b 4.61985
_cell_length_c 8.02783
_cell_angle_alpha 106.66975
_cell_angle_beta 107.65894
_cell_angle_gamma 89.99989
_cell_volume 164.16685
_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 0.50000 0.50000 0.00000 1.00000
La2 La 0.80968 0.30907 0.61935 1.00000
La3 La 0.19032 0.69093 0.38065 1.00000
Er1 Er 0.00000 0.00000 0.00000 1.00000
Ir1 Ir 0.37279 0.87327 0.74552 1.00000
Ir2 Ir 0.62721 0.12673 0.25448 1.00000
