Sm3PuTc8
Alexandria ALEXAlex-ID: agm005993391 · Space group: R3m (#160)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C8_29_spg160
Sm2PuTc2 Tc SmTc2
2023-09-12 22:04:44
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005993391).
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 agm005993391
data_agm005993391
_cell_length_a 5.39291
_cell_length_b 5.39291
_cell_length_c 9.54928
_cell_angle_alpha 73.59814
_cell_angle_beta 73.59812
_cell_angle_gamma 59.99999
_cell_volume 227.37424
_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
Sm1 Sm 0.37520 0.37520 0.87439 1.00000
Sm2 Sm 0.99947 0.99947 0.00159 1.00000
Sm3 Sm 0.50065 0.50065 0.49804 1.00000
Pu1 Pu 0.87531 0.87531 0.37407 1.00000
Tc1 Tc 0.93703 0.43713 0.18872 1.00000
Tc2 Tc 0.43814 0.93764 0.68658 1.00000
Tc3 Tc 0.43713 0.43713 0.18872 1.00000
Tc4 Tc 0.93764 0.93764 0.68658 1.00000
Tc5 Tc 0.18736 0.18736 0.43793 1.00000
Tc6 Tc 0.68731 0.68731 0.93807 1.00000
Tc7 Tc 0.43713 0.93703 0.18872 1.00000
Tc8 Tc 0.93764 0.43814 0.68658 1.00000
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