La4HfCu3
Alexandria ALEXAlex-ID: agm012846194 · Space group: I4/mcm (#140)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C4_157_spg140
Hf2Cu La LaCu
2024-05-28 22:18:56.405570
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm012846194).
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 agm012846194
data_agm012846194
_cell_length_a 8.75894
_cell_length_b 8.75894
_cell_length_c 8.75894
_cell_angle_alpha 96.18164
_cell_angle_beta 96.18164
_cell_angle_gamma 141.68724
_cell_volume 393.52640
_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 0.27861 0.59185 0.87046 1.00000
La2 La 0.72139 0.40815 0.12954 1.00000
La3 La 0.40815 0.27861 0.68676 1.00000
La4 La 0.77861 0.90815 0.68676 1.00000
La5 La 0.59185 0.72139 0.31324 1.00000
La6 La 0.22139 0.09185 0.31324 1.00000
La7 La 0.90815 0.22139 0.12954 1.00000
La8 La 0.09185 0.77861 0.87046 1.00000
Hf1 Hf 0.25000 0.75000 0.50000 1.00000
Hf2 Hf 0.75000 0.25000 0.50000 1.00000
Cu1 Cu 0.75000 0.75000 0.00000 1.00000
Cu2 Cu 0.25000 0.25000 0.00000 1.00000
Cu3 Cu 0.85381 0.64619 0.50000 1.00000
Cu4 Cu 0.14619 0.35381 0.50000 1.00000
Cu5 Cu 0.35381 0.85381 0.20762 1.00000
Cu6 Cu 0.64619 0.14619 0.79238 1.00000
Get direct link