CeUTc2
Alexandria ALEXAlex-ID: agm005778899 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_7187_spg166
CeUTc2
2023-07-13 16:23:06.826552
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005778899).
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 agm005778899
data_agm005778899
_cell_length_a 5.91095
_cell_length_b 5.91095
_cell_length_c 8.75660
_cell_angle_alpha 70.27452
_cell_angle_beta 70.27452
_cell_angle_gamma 60.00001
_cell_volume 244.00981
_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 0.85943 0.85943 0.42172 1.00000
Ce2 Ce 0.14057 0.14057 0.57828 1.00000
Ce3 Ce 0.00000 0.00000 0.00000 1.00000
U1 U 0.66686 0.66686 0.99941 1.00000
U2 U 0.33314 0.33314 0.00059 1.00000
U3 U 0.50000 0.50000 0.50000 1.00000
Tc1 Tc 0.41898 0.41898 0.24636 1.00000
Tc2 Tc 0.91569 0.41898 0.24636 1.00000
Tc3 Tc 0.41898 0.91569 0.24636 1.00000
Tc4 Tc 0.58102 0.58102 0.75364 1.00000
Tc5 Tc 0.58102 0.08431 0.75364 1.00000
Tc6 Tc 0.08431 0.58102 0.75364 1.00000
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