TbCe2(PuSe2)3
Alexandria ALEXAlex-ID: agm027172003 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_1_spg12
Ce2PuSe3 CePu2Se3 Tb2Pu3Se5
2024-11-29 09:09:18.609859
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm027172003).
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 agm027172003
data_agm027172003
_cell_length_a 7.21160
_cell_length_b 7.21160
_cell_length_c 7.18813
_cell_angle_alpha 80.36883
_cell_angle_beta 99.63117
_cell_angle_gamma 60.01374
_cell_volume 305.13872
_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
Tb1 Tb 0.00000 0.00000 0.50000 1.00000
Ce1 Ce 0.33386 0.33386 0.50000 1.00000
Ce2 Ce 0.66614 0.66614 0.50000 1.00000
Pu1 Pu 0.16841 0.16841 0.00000 1.00000
Pu2 Pu 0.83159 0.83159 0.00000 1.00000
Pu3 Pu 0.50000 0.50000 0.00000 1.00000
Se1 Se 0.41254 0.91614 0.75249 1.00000
Se2 Se 0.24316 0.75684 0.24513 1.00000
Se3 Se 0.58746 0.08386 0.24751 1.00000
Se4 Se 0.08386 0.58746 0.75249 1.00000
Se5 Se 0.75684 0.24316 0.75487 1.00000
Se6 Se 0.91614 0.41254 0.24751 1.00000
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