La2Sn2IrPd
Alexandria ALEXAlex-ID: agm044730010 · Space group: Pmc2_1 (#26)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D2_593_spg26
LaSnIr La3Sn3IrPd2
2025-02-28 15:28:53
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm044730010).
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 agm044730010
data_agm044730010
_cell_length_a 4.73503
_cell_length_b 7.54193
_cell_length_c 8.07626
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 288.41354
_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 0.51830 0.44241 1.00000
La2 La 0.50000 0.01830 0.55759 1.00000
La3 La 0.00000 0.47066 0.06337 1.00000
La4 La 0.00000 0.97066 0.93663 1.00000
Sn1 Sn 0.50000 0.16818 0.17148 1.00000
Sn2 Sn 0.50000 0.66818 0.82852 1.00000
Sn3 Sn 0.00000 0.83261 0.33202 1.00000
Sn4 Sn 0.00000 0.33261 0.66798 1.00000
Ir1 Ir 0.00000 0.21942 0.34227 1.00000
Ir2 Ir 0.00000 0.71942 0.65773 1.00000
Pd1 Pd 0.50000 0.79068 0.15478 1.00000
Pd2 Pd 0.50000 0.29068 0.84522 1.00000
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