CeTh3Al2
Alexandria ALEXAlex-ID: agm005250072 · Space group: Fmm2 (#42)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_1675_spg42
CeTh3 ThAl2 CeAl2
2023-04-20 20:28:58.963983
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005250072).
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 agm005250072
data_agm005250072
_cell_length_a 7.70693
_cell_length_b 6.13187
_cell_length_c 6.10820
_cell_angle_alpha 78.04803
_cell_angle_beta 51.11267
_cell_angle_gamma 50.83930
_cell_volume 165.42151
_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
Ce1 Ce 0.65915 0.34085 0.65915 1.00000
Th1 Th 0.34303 0.65697 0.34303 1.00000
Th2 Th 0.84227 0.84280 0.15720 1.00000
Th3 Th 0.15720 0.15773 0.84227 1.00000
Al1 Al 0.24918 0.25082 0.24918 1.00000
Al2 Al 0.74918 0.75082 0.74918 1.00000
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