TbPuSe2
Alexandria ALEXAlex-ID: agm044448155 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_11079_spg12
Tb2PuSe3 Tb2Pu3Se5
2024-11-01 06:08:33.977865
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm044448155).
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 agm044448155
data_agm044448155
_cell_length_a 9.20923
_cell_length_b 9.20923
_cell_length_c 8.24591
_cell_angle_alpha 77.01884
_cell_angle_beta 77.01884
_cell_angle_gamma 25.81476
_cell_volume 296.33772
_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 0.83252 0.83252 0.83525 1.00000
Tb2 Tb 0.16748 0.16748 0.16475 1.00000
Tb3 Tb 0.50000 0.50000 0.00000 1.00000
Pu1 Pu 0.50000 0.50000 0.50000 1.00000
Pu2 Pu 0.16599 0.16599 0.66702 1.00000
Pu3 Pu 0.83401 0.83401 0.33298 1.00000
Se1 Se 0.33371 0.33371 0.08093 1.00000
Se2 Se 0.66699 0.66699 0.41482 1.00000
Se3 Se 0.66629 0.66629 0.91907 1.00000
Se4 Se 0.00143 0.00143 0.24740 1.00000
Se5 Se 0.99857 0.99857 0.75260 1.00000
Se6 Se 0.33301 0.33301 0.58518 1.00000
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