Tb2Pu5Sc2
Alexandria ALEXAlex-ID: agm010011591 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C5_164_spg12
Tb Pu Sc
2024-07-13 15:13:28.694948
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010011591).
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 agm010011591
data_agm010011591
_cell_length_a 5.83921
_cell_length_b 5.83921
_cell_length_c 14.03887
_cell_angle_alpha 70.33336
_cell_angle_beta 70.33336
_cell_angle_gamma 32.93938
_cell_volume 243.72486
_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 0.21716 0.21716 0.61627 1.00000
Tb2 Tb 0.78284 0.78284 0.38373 1.00000
Pu1 Pu 0.34113 0.34113 0.15840 1.00000
Pu2 Pu 0.65887 0.65887 0.84160 1.00000
Pu3 Pu 0.56541 0.56541 0.26938 1.00000
Pu4 Pu 0.43459 0.43459 0.73062 1.00000
Pu5 Pu 0.00000 0.00000 0.50000 1.00000
Sc1 Sc 0.88430 0.88430 0.94901 1.00000
Sc2 Sc 0.11570 0.11570 0.05099 1.00000
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