LaHfScIr2
Alexandria ALEXAlex-ID: agm005022367 · Space group: I-4m2 (#119)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD2_1563_spg119
HfSc5Ir6 La(HfIr)2 Hf2Sc2Ir3 La7Ir3
2022-08-04 14:04:45.924701
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005022367).
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 agm005022367
data_agm005022367
_cell_length_a 4.40011
_cell_length_b 4.40011
_cell_length_c 6.56921
_cell_angle_alpha 109.56671
_cell_angle_beta 109.56671
_cell_angle_gamma 90.00000
_cell_volume 112.01609
_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 0.00000 0.00000 1.00000
Hf1 Hf 0.75000 0.25000 0.50000 1.00000
Sc1 Sc 0.25000 0.75000 0.50000 1.00000
Ir1 Ir 0.61537 0.61537 0.23074 1.00000
Ir2 Ir 0.38463 0.38463 0.76926 1.00000
