Ce9Th5
Alexandria ALEXAlex-ID: agm014611285 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A5B9_322_spg1
Ce3Th CeTh3
2024-12-26 04:45:36
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm014611285).
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 agm014611285
data_agm014611285
_cell_length_a 6.86848
_cell_length_b 7.66217
_cell_length_c 8.41514
_cell_angle_alpha 111.23575
_cell_angle_beta 89.98099
_cell_angle_gamma 102.89157
_cell_volume 400.80920
_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 0.30407 0.08845 0.96321 1.00000
Ce2 Ce 0.44715 0.66026 0.82022 1.00000
Ce3 Ce 0.09149 0.23139 0.68050 1.00000
Ce4 Ce 0.51580 0.94635 0.24908 1.00000
Ce5 Ce 0.58834 0.23158 0.67830 1.00000
Ce6 Ce 0.01918 0.94600 0.25007 1.00000
Ce7 Ce 0.16082 0.51989 0.10930 1.00000
Ce8 Ce 0.87257 0.37283 0.39357 1.00000
Ce9 Ce 0.23281 0.80594 0.53489 1.00000
Th1 Th 0.80455 0.09002 0.96648 1.00000
Th2 Th 0.37156 0.37364 0.39326 1.00000
Th3 Th 0.94983 0.65826 0.81921 1.00000
Th4 Th 0.65918 0.51943 0.10657 1.00000
Th5 Th 0.73265 0.80597 0.53534 1.00000
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