CePr2(PuTe2)3
Alexandria ALEXAlex-ID: agm044270966 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_1_spg12
CePr2(PuTe2)3
2024-09-25 07:14:44.381486
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm044270966).
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 agm044270966
data_agm044270966
_cell_length_a 7.77136
_cell_length_b 7.77136
_cell_length_c 7.72755
_cell_angle_alpha 80.36156
_cell_angle_beta 80.36156
_cell_angle_gamma 119.82204
_cell_volume 381.64879
_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 0.00000 0.00000 0.00000 1.00000
Pr1 Pr 0.66739 0.33261 0.00000 1.00000
Pr2 Pr 0.33261 0.66739 0.00000 1.00000
Pu1 Pu 0.83215 0.16785 0.50000 1.00000
Pu2 Pu 0.16785 0.83215 0.50000 1.00000
Pu3 Pu 0.50000 0.50000 0.50000 1.00000
Te1 Te 0.58301 0.91444 0.25711 1.00000
Te2 Te 0.75482 0.75482 0.74352 1.00000
Te3 Te 0.41699 0.08556 0.74289 1.00000
Te4 Te 0.91444 0.58301 0.25711 1.00000
Te5 Te 0.24518 0.24518 0.25648 1.00000
Te6 Te 0.08556 0.41699 0.74289 1.00000
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