La3In3IrRh2
Alexandria ALEXAlex-ID: agm040455284 · Space group: Pm (#6)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D3_12_spg6
La3In3Ir2Rh LaInRh
2024-12-14 15:11:18
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm040455284).
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 agm040455284
data_agm040455284
_cell_length_a 7.33560
_cell_length_b 4.41581
_cell_length_c 26.00446
_cell_angle_alpha 90.00000
_cell_angle_beta 90.17570
_cell_angle_gamma 90.00000
_cell_volume 842.34752
_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 0.54360 0.00000 0.94115 1.00000
La2 La 0.53960 0.00000 0.60784 1.00000
La3 La 0.54257 0.00000 0.27434 1.00000
La4 La 0.04257 0.00000 0.89196 1.00000
La5 La 0.03878 0.00000 0.55908 1.00000
La6 La 0.04100 0.00000 0.22570 1.00000
La7 La 0.46006 0.50000 0.72690 1.00000
La8 La 0.46188 0.50000 0.39260 1.00000
La9 La 0.46296 0.50000 0.05933 1.00000
La10 La 0.96055 0.50000 0.77302 1.00000
La11 La 0.95544 0.50000 0.43963 1.00000
La12 La 0.95695 0.50000 0.10620 1.00000
In1 In 0.63858 0.00000 0.81337 1.00000
In2 In 0.63423 0.00000 0.48026 1.00000
In3 In 0.63603 0.00000 0.14685 1.00000
In4 In 0.13739 0.00000 0.68648 1.00000
In5 In 0.13824 0.00000 0.35361 1.00000
In6 In 0.13932 0.00000 0.02026 1.00000
In7 In 0.36359 0.50000 0.85412 1.00000
In8 In 0.36088 0.50000 0.52028 1.00000
In9 In 0.36298 0.50000 0.18698 1.00000
In10 In 0.86514 0.50000 0.97911 1.00000
In11 In 0.86120 0.50000 0.64592 1.00000
In12 In 0.86402 0.50000 0.31253 1.00000
Ir1 Ir 0.75040 0.00000 0.70900 1.00000
Ir2 Ir 0.75099 0.00000 0.37633 1.00000
Ir3 Ir 0.75220 0.00000 0.04295 1.00000
Ir4 Ir 0.25115 0.00000 0.79085 1.00000
Rh1 Rh 0.24780 0.00000 0.45846 1.00000
Rh2 Rh 0.24934 0.00000 0.12516 1.00000
Rh3 Rh 0.25021 0.50000 0.95805 1.00000
Rh4 Rh 0.24604 0.50000 0.62423 1.00000
Rh5 Rh 0.24920 0.50000 0.29116 1.00000
Rh6 Rh 0.74881 0.50000 0.87543 1.00000
Rh7 Rh 0.74708 0.50000 0.54208 1.00000
Rh8 Rh 0.74923 0.50000 0.20877 1.00000
