La2Ce5Hf2
Alexandria ALEXAlex-ID: agm008945342 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C5_328_spg12
La Ce Hf
2024-05-29 15:45:22.346547
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm008945342).
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
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# CIF generated by HEAS from Alexandria entry agm008945342
data_agm008945342
_cell_length_a 3.30309
_cell_length_b 8.42595
_cell_length_c 9.38386
_cell_angle_alpha 105.96399
_cell_angle_beta 86.22738
_cell_angle_gamma 90.50803
_cell_volume 250.54034
_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 0.71094 0.31686 0.88908 1.00000
La2 La 0.28906 0.68314 0.11092 1.00000
Ce1 Ce 0.67544 0.69246 0.74211 1.00000
Ce2 Ce 0.32456 0.30754 0.25789 1.00000
Ce3 Ce 0.24191 0.34562 0.56552 1.00000
Ce4 Ce 0.75809 0.65438 0.43448 1.00000
Ce5 Ce 0.00000 0.00000 0.00000 1.00000
Hf1 Hf 0.23292 0.98905 0.63965 1.00000
Hf2 Hf 0.76708 0.01095 0.36035 1.00000
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