La3Ho5Ir
Alexandria ALEXAlex-ID: agm072176286 · Space group: P4/mmm (#123)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C5_1063_spg123
La7Ho Ho3Ir LaHo2
2024-09-24 12:42:36.197864
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072176286).
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 agm072176286
data_agm072176286
_cell_length_a 7.41683
_cell_length_b 7.41683
_cell_length_c 5.39430
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 296.73679
_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 0.00000 0.50000 0.50000 1.00000
La2 La 0.50000 0.00000 0.50000 1.00000
La3 La 0.50000 0.50000 0.50000 1.00000
Ho1 Ho 0.00000 0.00000 0.50000 1.00000
Ho2 Ho 0.25984 0.74016 0.00000 1.00000
Ho3 Ho 0.74016 0.25984 0.00000 1.00000
Ho4 Ho 0.74016 0.74016 0.00000 1.00000
Ho5 Ho 0.25984 0.25984 0.00000 1.00000
Ir1 Ir 0.00000 0.00000 0.00000 1.00000
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