CeTh2
Alexandria ALEXAlex-ID: agm017272674 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2_9158_spg12
Ce3Th CeTh3
2025-04-13 14:38:55
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017272674).
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 agm017272674
data_agm017272674
_cell_length_a 9.30256
_cell_length_b 9.30256
_cell_length_c 9.90397
_cell_angle_alpha 57.81867
_cell_angle_beta 122.18133
_cell_angle_gamma 149.17694
_cell_volume 366.04810
_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 0.24987 0.75013 0.62176 1.00000
Ce2 Ce 0.75013 0.24987 0.37824 1.00000
Ce3 Ce 0.91628 0.08372 0.79117 1.00000
Ce4 Ce 0.08372 0.91628 0.20883 1.00000
Th1 Th 0.25013 0.74987 0.12778 1.00000
Th2 Th 0.08362 0.91638 0.70876 1.00000
Th3 Th 0.41655 0.58345 0.54455 1.00000
Th4 Th 0.74987 0.25013 0.87222 1.00000
Th5 Th 0.58345 0.41655 0.45545 1.00000
Th6 Th 0.91638 0.08362 0.29124 1.00000
Th7 Th 0.41623 0.58377 0.03819 1.00000
Th8 Th 0.58377 0.41623 0.96181 1.00000
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