Ce2PrTh3
Alexandria ALEXAlex-ID: agm017684712 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_4827_spg2
Ce3Th Pr CeTh3
2025-04-13 14:33:18
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017684712).
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 agm017684712
data_agm017684712
_cell_length_a 9.35833
_cell_length_b 9.35833
_cell_length_c 9.97937
_cell_angle_alpha 57.53293
_cell_angle_beta 122.46707
_cell_angle_gamma 149.04597
_cell_volume 373.33633
_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 0.91642 0.08358 0.53467 1.00000
Ce2 Ce 0.08358 0.91642 0.46533 1.00000
Ce3 Ce 0.75085 0.24915 0.12389 1.00000
Ce4 Ce 0.24915 0.75085 0.87611 1.00000
Pr1 Pr 0.41541 0.58459 0.78671 1.00000
Pr2 Pr 0.58459 0.41541 0.21329 1.00000
Th1 Th 0.08631 0.91369 0.95461 1.00000
Th2 Th 0.91369 0.08631 0.04539 1.00000
Th3 Th 0.58387 0.41613 0.70666 1.00000
Th4 Th 0.41613 0.58387 0.29334 1.00000
Th5 Th 0.74858 0.25142 0.62706 1.00000
Th6 Th 0.25142 0.74858 0.37294 1.00000
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